# PHREEQC database # Thermodynamic database ANDRA/RWM - THERMOCHIMIE-TDB (www.thermochimie-tdb.com) # Version 9b0 # Nom : ThermoChimie project # BDD Date: 10/8/2015 # Comment: no comment # NAMED_EXPRESSIONS # # formation of O2 from H2O # 2H2O = O2 + 4H+ + 4e- # # Log_K_O2 # log_k -85.980 # delta_H 559.526 kJ/mol # # -analytic 1.20446E+1 0E+0 -2.9226E+4 0E+0 0E+0 SOLUTION_MASTER_SPECIES #element species alk gfw_formula element_gfw E e- 0 0 0 Acetate Acetate- 0 Acetate 59.01 Adipate Adipate-2 0 Adipate 144.07 Ag Ag+ 0 Ag 107.8682 Al Al+3 0 Al 26.9815 Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.05 Am Am+3 0 Am 243 Am(+2) Am+2 0 Am 243 Am(+3) Am+3 0 Am 243 Am(+4) Am+4 0 Am 243 Am(+5) AmO2+ 0 Am 243 Am(+6) AmO2+2 0 Am 243 As AsO4-3 0 As 74.9216 As(+3) H3(AsO3) 0 As 74.9216 As(+5) AsO4-3 2 As 74.9216 B B(OH)4- 1 B 10.811 Ba Ba+2 0 Ba 137.327 Br Br- 0 Br 79.904 C CO3-2 2 CO3 12.011 C(+4) CO3-2 2 CO3 12.011 C(-4) CH4 0 CH4 12.011 Ca Ca+2 0 Ca 40.078 Cd Cd+2 0 Cd 112.411 Cit Cit-3 0 Cit 189.1013 Cl Cl- 0 Cl 35.4527 Cm Cm+3 0 Cm 247 Cn Cn- 0 Cn 26.018 Co Co+2 0 Co 58.9332 Cr CrO4-2 0 CrO4 51.9961 Cr(+2) Cr+2 0 Cr 51.9961 Cr(+3) Cr+3 -1 Cr 51.9961 Cr(+6) CrO4-2 1 CrO4 51.9961 Cs Cs+ 0 Cs 132.9054 Cu Cu+2 0 Cu 63.546 Cu(+1) Cu+ 0 Cu 63.546 Cu(+2) Cu+2 0 Cu 63.546 Edta Edta-4 0 Edta 288.2134 Eu Eu+3 0 Eu 151.965 Eu(+2) Eu+2 0 Eu 151.965 Eu(+3) Eu+3 0 Eu 151.965 F F- 0 F 18.9984 Fe Fe+2 0 Fe 55.847 Fe(+2) Fe+2 0 Fe 55.847 Fe(+3) Fe+3 0 Fe 55.847 Glu HGlu- 0 Glu 195.1459 H H+ -1 H 1.0079 H(+1) H+ -1 H 1.0079 H(0) H2 0 H 1.0079 Hf Hf+4 -4 Hf 178.49 Hg Hg+2 0 Hg 200.59 Hg(+2) Hg+2 0 Hg 200.59 Hg(+1) Hg2+2 0 Hg2 401.18 Ho Ho+3 0 Ho 164.9303 I I- 0 I 126.9045 I(+5) IO3- 0 I 126.9045 I(-1) I- 0 I 126.9045 Isa HIsa- 0 HIsa 180.1548 K K+ 0 K 39.0983 Li Li+ 0 Li 6.941 Malonate Malonate-2 0 Malonate 63.99 Mg Mg+2 0 Mg 24.305 Mn Mn+2 0 Mn 54.938 Mo MoO4-2 0 Mo 95.94 N NO3- 0 N 14.0067 N(+5) NO3- 0 N 14.0067 N(-3) NH3 1 N 14.0067 Na Na+ 0 Na 22.9898 Nb Nb(OH)6- 0 Nb 92.9064 Ni Ni+2 0 Ni 58.69 Np NpO2+2 0 Np 237.048 Np(+3) Np+3 0 Np 237.048 Np(+4) Np+4 0 Np 237.048 Np(+5) NpO2+ 0 Np 237.048 Np(+6) NpO2+2 0 Np 237.048 Nta Nta-3 0 Nta 188.1165 O H2O 0 O 15.999 O(0) O2 0 O 15.9994 O(-2) H2O 0 O 15.9994 Ox Ox-2 0 Ox 88.0196 P H2(PO4)- 1 P 30.9738 Pa Pa+4 0 Pa 231.0359 Pa(+4) Pa+4 0 Pa 231.0359 Pa(+5) PaO2+ 0 Pa 231.0359 Pb Pb+2 0 Pb 207.2 Pd Pd+2 -2 Pd 106.42 Phthalat Phthalat-2 0 Phthalat 164.084 Pu PuO2+2 0 Pu 244 Pu(+3) Pu+3 0 Pu 244 Pu(+4) Pu+4 0 Pu 244 Pu(+5) PuO2+ 0 Pu 244 Pu(+6) PuO2+2 0 Pu 244 Pyrophos Pyrophos-4 0 Pyrophos 173.95 Ra Ra+2 0 Ra 226.025 Rb Rb+ 0 Rb 85.4678 S SO4-2 0 SO4 32.066 S(+2) S2O3-2 0 S 32.066 S(+3) S2O4-2 0 S2O4-2 128.128 S(+4) SO3-2 0 S 32.066 S(+6) SO4-2 0 SO4 32.066 S(-2) HS- 1 S 32.066 Sb Sb(OH)3 0 Sb 121.76 Sb(+3) Sb(OH)3 0 Sb 121.76 Sb(+5) Sb(OH)5 0 Sb 121.76 Scn Scn- 0 Scn 58.084 Se SeO4-2 0 Se 78.96 Se(+4) SeO3-2 0 Se 78.96 Se(+6) SeO4-2 0 Se 78.96 Se(-2) HSe- 0 Se 78.96 Si H4(SiO4) 0 Si 28.0855 Sm Sm+3 0 Sm 150.36 Sn Sn+2 -1 Sn 118.71 Sn(+2) Sn+2 -1 Sn 118.71 Sn(+4) Sn+4 -4 Sn 118.71 Sr Sr+2 0 Sr 87.62 Suberate Suberate-2 0 Suberate 170.16 Succinat Succinat-2 0 Succinat 116.07 Tc TcO(OH)2 0 Tc 98 Tc(+4) TcO(OH)2 0 Tc 98 Tc(+6) TcO4-2 0 Tc 98 Tc(+7) TcO4- 0 Tc 98 Th Th+4 -3 Th 232.0381 U UO2+2 0 U 238.0289 U(+3) U+3 0 U 238.0289 U(+4) U+4 0 U 238.0289 U(+5) UO2+ 0 U 238.0289 U(+6) UO2+2 0 U 238.0289 Zn Zn+2 0 Zn 65.39 Zr Zr+4 -4 Zr 91.22 SIT -epsilon (NpO2)2(OH)2+2 Cl- -0.248 (NpO2)2(OH)2+2 ClO4- 0.57 (NpO2)2CO3(OH)3- Na+ 0 (NpO2)3(CO3)6-6 Na+ -0.46 (NpO2)3(OH)5+ Cl- -0.226 (NpO2)3(OH)5+ ClO4- 0.45 (PuO2)2(OH)2+2 Cl- -0.248 (PuO2)3(CO3)6-6 Na+ -0.46 (UO2)2(CO3)(OH)3- Na+ 0 (UO2)2(NpO2)(CO3)6-6 Na+ 0.09 (UO2)2(OH)2+2 Cl- 0.69 (UO2)2(OH)2+2 ClO4- 0.57 (UO2)2(OH)2+2 NO3- 0.49 (UO2)3(CO3)6-6 Na+ 0.37 (UO2)3(OH)4+2 Cl- 0.5 (UO2)3(OH)5+ Cl- 0.81 Ag(SeO3)- Na+ -0.024 Ag+ Cl- 0.031 Al(OH)+2 Cl- 0.09 Al(OH)2+ Cl- 0.09 Al+3 Cl- 0.33 Am(CO3)+ Cl- 0.129 Am(CO3)+ ClO4- 0.17 Am(CO3)2- Na+ -0.14 Am(CO3)3-3 Na+ -0.23 Am(CO3)5-6 Na+ -0.3 Am(Edta)- Na+ 0.01 Am(H2PO4)+2 Cl- 0.191 Am(H2PO4)+2 ClO4- 0.39 Am(NO3)+2 Cl- 0.191 Am(NO3)+2 ClO4- 0.39 Am(OH)+2 Cl- -0.04 Am(OH)+2 ClO4- 0.39 Am(OH)2+ Cl- -0.29 Am(OH)2+ ClO4- 0.17 Am(Ox)+ ClO4- 0.08 Am(Ox)2- Na+ -0.21 Am(Ox)3-3 Na+ -0.23 Am(SO4)+ Cl- 0.157 Am(SO4)+ ClO4- 0.22 Am(SO4)2- Na+ -0.05 Am+3 Cl- 0.23 Am+3 ClO4- 0.49 AmCl+2 Cl- 0.191 AmCl+2 ClO4- 0.39 AmCl2+ Cl- 0.129 AmF+2 Cl- 0.191 AmF+2 ClO4- 0.39 AmF2+ Cl- 0.129 AmF2+ ClO4- 0.17 AmO2(CO3)- Na+ -0.18 AmO2(CO3)2-3 Na+ -0.33 AmO2(CO3)3-5 Na+ -0.53 AmO2+ Cl- 0.09 AmO2+2 Cl- 0.39 B(OH)4- Na+ -0.07 Ba+2 Cl- 0.07 Ba+2 ClO4- 0.15 Ba+2 NO3- -0.28 Br- Na+ 0.05 CO3-2 Na+ -0.08 Ca+2 Cl- 0.14 Ca+2 ClO4- 0.27 Ca+2 NO3- 0.02 Ca4Th(OH)8+4 Cl- -0.01 Ca4Th(OH)8+4 ClO4- 0.21 Cd(HCO3)+ Cl- 0.2 Cd+2 Cl- 0.16 Cd+2 NO3- 0.09 CdCl+ Cl- 0.127 CdCl+ ClO4- 0.25 CdI+ Cl- 0.136 CdI+ ClO4- 0.27 Cit-3 Na+ -0.076 Cl- Na+ 0.03 Cm(CO3)2- Na+ 0.34 Cm(CO3)3-3 Na+ 0.16 Cm(H2PO4)+2 Cl- 0.191 Cm(H2PO4)+2 ClO4- 0.39 Cm(OH)+2 Cl- -0.04 Cm(OH)+2 ClO4- 0.39 Cm(OH)2+ Cl- -0.27 Cm(OH)2+ ClO4- 0.17 Cm(SO4)2- Na+ -0.05 Cm+3 Cl- 0.23 Cm+3 ClO4- 0.49 CmCO3+ Cl- 0.35 CmCl+2 Cl- 0.191 CmCl+2 ClO4- 0.39 CmCl2+ Cl- 0.129 CmF+2 ClO4- 0.39 CmF2+ ClO4- 0.17 CmNO3+2 ClO4- 0.39 CmSO4+ Cl- 0.157 CmSO4+ ClO4- 0.22 Cn- Na+ 0.07 Co+2 Cl- 0.16 Co+2 ClO4- 0.34 Co+2 NO3- 0.14 Cr+3 Cl- 0.3 Cr+3 NO3- 0.27 Cu+ ClO4- 0.11 Cu+2 Cl- 0.08 Cu+2 ClO4- 0.32 Cu+2 NO3- 0.11 Edta-4 Na+ 0.32 Eu(CO3)+ Cl- 0.129 Eu(CO3)+ ClO4- 0.17 Eu(CO3)2- Na+ -0.14 Eu(CO3)3-3 Na+ -0.23 Eu(H2PO4)+2 Cl- 0.191 Eu(H2PO4)+2 ClO4- 0.39 Eu(NO3)+2 Cl- 0.191 Eu(NO3)+2 ClO4- 0.39 Eu(OH)+2 Cl- -0.04 Eu(OH)+2 ClO4- 0.39 Eu(OH)2+ Cl- -0.29 Eu(OH)2+ ClO4- 0.17 Eu(SO4)+ Cl- 0.157 Eu(SO4)+ ClO4- 0.22 Eu(SO4)2- Na+ -0.05 Eu+3 Cl- 0.23 Eu+3 ClO4- 0.49 EuCl+2 Cl- 0.191 EuCl+2 ClO4- 0.39 EuCl2+ Cl- 0.129 EuF+2 Cl- 0.191 EuF2+ Cl- 0.129 F- Na+ 0.02 Fe(OH)+2 Cl- 0.186 Fe+3 ClO4- 0.56 Fe+3 NO3- 0.42 H(Cit)-2 Na+ -0.04 H(Edta)-3 Na+ -0.1 H(Ox)- Na+ -0.07 H(SO4)- Na+ -0.01 H(SeO3)- Na+ 0.02 H(SeO4)- Na+ 0 H+ Cl- 0.12 H+ ClO4- 0.14 H+ NO3- 0.07 H2(Cit)- Na+ -0.05 H2(Edta)-2 Na+ -0.37 H2(PO4)- Na+ -0.08 H2(SiO4)-2 Na+ -0.1 H3(Edta)- Na+ -0.33 H3(SiO4)- Na+ -0.08 H5(Edta)+ Cl- -0.23 H5(Edta)+ ClO4- -0.23 H5(Edta)+ NO3- -0.23 H6(Edta)+2 Cl- -0.2 H6(Edta)+2 ClO4- -0.2 H6(Edta)+2 NO3- -0.2 HCO3- Na+ 0 HGlu- Na+ -0.07 HIsa- Na+ -0.07 HMoO4- Na+ -0.099 HPO4-2 Na+ -0.15 Hf(NO3)2+2 ClO4- 0.84 Hf(OH)+3 ClO4- 0.57 Hf+4 Cl- 0.89 Hf+4 ClO4- 0.89 Hf+4 NO3- 0.89 HfCl+3 ClO4- 0.87 HfCl2+2 ClO4- 0.84 HfF+3 ClO4- 0.63 HfF2+2 ClO4- 0.47 HfNO3+3 ClO4- 0.91 Hg(SeO3)2-2 Na+ 0.008 Hg+2 Cl- 0.168 Hg2+2 Cl- 0.054 Ho(CO3)+ Cl- 0.129 Ho(CO3)+ ClO4- 0.17 Ho(CO3)2- Na+ -0.14 Ho(CO3)3-3 Na+ -0.23 Ho(H2PO4)+2 Cl- 0.191 Ho(H2PO4)+2 ClO4- 0.39 Ho(NO3)+2 Cl- 0.191 Ho(NO3)+2 ClO4- 0.39 Ho(OH)+2 Cl- -0.04 Ho(OH)+2 ClO4- 0.39 Ho(OH)2+ Cl- -0.29 Ho(OH)2+ ClO4- 0.17 Ho(SO4)+ Cl- 0.157 Ho(SO4)+ ClO4- 0.22 Ho(SO4)2- Na+ -0.05 Ho+3 Cl- 0.23 Ho+3 ClO4- 0.49 HoCl+2 Cl- 0.191 HoCl+2 ClO4- 0.39 HoCl2+ Cl- 0.129 HoF+2 Cl- 0.191 HoF+2 ClO4- 0.39 HoF2+ Cl- 0.129 HoF2+ ClO4- 0.17 I- Na+ 0.08 IO3- Na+ -0.06 K+ Cl- 0 K+ NO3- -0.11 Li+ Cl- 0.1 Li+ ClO4- 0.15 Li+ NO3- 0.08 Mg(Cit)- Na+ 0.03 Mg(Edta)-2 Na+ -0.01 Mg(HEdta)- Na+ 0.11 Mg(Ox)2-2 Na+ -0.15 Mg+2 Cl- 0.19 Mg+2 ClO4- 0.33 Mg+2 NO3- 0.17 Mn+2 Cl- 0.13 Mo7O21(OH)3-3 Na+ -1.455 Mo7O22(OH)2-4 Na+ -1.346 Mo7O23(OH)-5 Na+ -1.145 Mo7O24-6 Na+ -1.265 MoO4-2 Na+ 0.034 NH4+ Cl- -0.01 NH4+ ClO4- -0.08 NH4+ NO3- -0.06 NO3- Na+ -0.04 Na+ ClO4- 0.01 Ni(CO3)2-2 Na+ 0.003 Ni(Cit)- Na+ 0.22 Ni(Cn)4-2 Na+ 0.185 Ni(Cn)5-3 Na+ 0.25 Ni(HCO3)+ Cl- 0.085 Ni(NO3)+ Cl- 0.06 Ni(NO3)+ ClO4- 0.44 Ni(OH)+ Cl- -0.01 Ni(OH)+ ClO4- 0.14 Ni(OH)3- Na+ 0.88 Ni(SO4)2-2 Na+ -0.263 Ni(Scn)+ Cl- 0.11 Ni(Scn)+ ClO4- 0.31 Ni(Scn)3- Na+ 0.66 Ni+2 Cl- 0.17 Ni+2 ClO4- 0.37 Ni+2 NO3- 0.182 Ni4(OH)4+4 ClO4- 1.08 NiCl+ Cl- 0.1 NiCl+ ClO4- 0.34 NiF+ Cl- 0.065 NiF+ ClO4- 0.34 NiHS+ ClO4- -0.85 Np(CO3)(OH)3- Na+ -0.11 Np(CO3)+ Cl- 0.129 Np(CO3)+ ClO4- 0.17 Np(CO3)2- Na+ -0.14 Np(CO3)3-3 Na+ -0.23 Np(CO3)4-4 Na+ -0.09 Np(CO3)5-6 Na+ 0 Np(NO3)+3 ClO4- 0.71 Np(OH)+2 Cl- -0.04 Np(OH)+2 ClO4- 0.39 Np(OH)+3 Cl- 0.2 Np(OH)+3 ClO4- 0.5 Np(OH)2+ Cl- -0.29 Np(OH)2+ ClO4- 0.17 Np(OH)2+2 Cl- 0.1 Np(OH)3+ Cl- 0.05 Np(OH)4(CO3)-2 Na+ -0.13 Np(SO4)+ Cl- 0.157 Np(SO4)+ ClO4- 0.22 Np(SO4)+2 Cl- 0.232 Np(SO4)+2 ClO4- 0.48 Np(SO4)2- Na+ -0.05 Np+3 Cl- 0.23 Np+3 ClO4- 0.49 Np+4 Cl- 0.4 Np+4 ClO4- 0.84 NpCl+3 ClO4- 0.81 NpF+3 ClO4- 0.58 NpF2+2 Cl- 0.186 NpF2+2 ClO4- 0.38 NpF3+ Cl- 0.1 NpI+3 ClO4- 0.77 NpO2(CO3)- Na+ -0.18 NpO2(CO3)2-2 Na+ -0.02 NpO2(CO3)2-3 Na+ -0.33 NpO2(CO3)2OH-4 Na+ -0.4 NpO2(CO3)3-4 Na+ -0.4 NpO2(CO3)3-5 Na+ -0.53 NpO2(Cit)-2 Na+ -0.06 NpO2(Edta)-3 Na+ 0.2 NpO2(HEdta)-2 Na+ 0.07 NpO2(HPO4)2-2 Na+ -0.1 NpO2(NO3)+ Cl- 0.22 NpO2(NO3)+ ClO4- 0.33 NpO2(OH)+ Cl- -0.003 NpO2(OH)+ ClO4- -0.06 NpO2(OH)2- Na+ -0.01 NpO2(Ox)- Na+ -0.4 NpO2(Ox)2-3 Na+ -0.3 NpO2(SO4)- Na+ -0.74 NpO2(SO4)2-2 Na+ -0.12 NpO2+ Cl- 0.09 NpO2+ ClO4- 0.25 NpO2+2 Cl- 0.223 NpO2+2 ClO4- 0.46 NpO2Cl+ Cl- 0.318 NpO2Cl+ ClO4- 0.5 NpO2F+ Cl- 0.197 NpO2F+ ClO4- 0.29 OH- Na+ 0.04 Ox-2 Na+ -0.08 PO4-3 Na+ -0.25 Pa+4 Cl- 0.3 PaO(OH)+2 Cl- 0.13 Pb(OH)3- Na+ 0.02 Pb(SO4)2-2 Na+ -0.52 Pb+2 Cl- 0.081 Pb+2 ClO4- 0.15 Pb+2 NO3- -0.2 PbF+ Cl- 0.14 Pd(SO4)2-2 Na+ -0.12 Pd+2 Cl- 0.16 PdBr+ Cl- 0.175 PdBr3- Na+ 0 PdBr4-2 Na+ 0.1 PdCl+ Cl- 0.175 PdCl3- Na+ 0 PdCl4-2 Na+ 0.1 Pu(CO3)+ Cl- 0.129 Pu(CO3)+ ClO4- 0.17 Pu(CO3)2- Na+ -0.14 Pu(CO3)3-3 Na+ -0.23 Pu(CO3)4-4 Na+ -0.09 Pu(CO3)5-6 Na+ 0 Pu(NO3)+2 Cl- 0.191 Pu(NO3)+2 ClO4- 0.39 Pu(NO3)+3 ClO4- 0.59 Pu(OH)+2 Cl- -0.04 Pu(OH)+2 ClO4- 0.39 Pu(OH)+3 Cl- 0.2 Pu(OH)+3 ClO4- 0.5 Pu(OH)2+ Cl- -0.29 Pu(OH)2+ ClO4- 0.17 Pu(OH)2+2 Cl- 0.1 Pu(OH)3+ Cl- 0.05 Pu(SO4)+ Cl- 0.157 Pu(SO4)+ ClO4- 0.22 Pu(SO4)+2 Cl- 0.232 Pu(SO4)+2 ClO4- 0.36 Pu(SO4)2- Na+ -0.05 Pu+3 Cl- 0.23 Pu+3 ClO4- 0.49 Pu+4 Cl- 0.37 Pu+4 ClO4- 0.82 PuBr+3 Cl- 0.1 PuBr+3 ClO4- 0.58 PuCl+3 Cl- 0.1 PuCl+3 ClO4- 0.85 PuF+3 Cl- 0.1 PuF+3 ClO4- 0.56 PuF2+2 Cl- 0.177 PuF2+2 ClO4- 0.36 PuF3+ Cl- 0.1 PuI+2 Cl- 0.191 PuI+2 ClO4- 0.39 PuI+3 Cl- 0.1 PuO2(CO3)2-2 Na+ -0.7 PuO2(CO3)3-4 Na+ -0.2 PuO2(CO3)3-5 Na+ -0.53 PuO2(OH)+ Cl- -0.003 PuO2(SO4)- Na+ -0.74 PuO2(SO4)2-2 Na+ -0.12 PuO2+ Cl- 0.129 PuO2+ ClO4- 0.24 PuO2+2 Cl- 0.223 PuO2+2 ClO4- 0.46 PuO2CO3- Na+ -0.18 PuO2Cl+ Cl- 0.318 PuO2Cl+ ClO4- 0.5 PuO2F+ Cl- 0.197 PuO2F+ ClO4- 0.29 PuO2F3- Na+ 0 PuO2NO3+ Cl- 0.22 PuO2NO3+ ClO4- 0.33 SO3-2 Na+ -0.08 SO4-2 Na+ -0.12 Scn- Na+ 0.05 SeO3-2 Na+ -0.08 SeO4-2 Na+ -0.12 Si2O2(OH)5- Na+ -0.08 Si2O3(OH)4-2 Na+ -0.15 Si3O5(OH)5-3 Na+ -0.25 Si3O6(OH)3-3 Na+ -0.25 Si4O8(OH)4-4 Na+ -0.26 Sm(CO3)+ Cl- 0.129 Sm(CO3)+ ClO4- 0.17 Sm(CO3)2- Na+ -0.14 Sm(CO3)3-3 Na+ -0.23 Sm(H2PO4)+2 Cl- 0.191 Sm(H2PO4)+2 ClO4- 0.39 Sm(NO3)+2 Cl- 0.191 Sm(NO3)+2 ClO4- 0.39 Sm(OH)+2 Cl- -0.04 Sm(OH)+2 ClO4- 0.39 Sm(OH)2+ Cl- -0.29 Sm(OH)2+ ClO4- 0.17 Sm(SO4)+ Cl- 0.157 Sm(SO4)+ ClO4- 0.22 Sm(SO4)2- Na+ -0.05 Sm+3 Cl- 0.23 Sm+3 ClO4- 0.49 SmCl+2 Cl- 0.191 SmCl+2 ClO4- 0.39 SmF+2 Cl- 0.191 SmF+2 ClO4- 0.39 Sn(OH)+ ClO4- -0.07 Sn(OH)3- Na+ 0.22 Sn+2 Cl- 0.14 Sn+2 ClO4- 0.19 Sn+4 ClO4- 0.7 Sn3(OH)4+2 ClO4- -0.02 SnBr+ ClO4- 0.17 SnBr3- Na+ 0.16 SnCl+ ClO4- 0.08 SnCl3- Na+ 0.04 SnF+ ClO4- 0.14 Th(CO3)5-6 Na+ -0.3 Th(H2PO4)+3 ClO4- 0.5 Th(H2PO4)2+2 ClO4- 0.4 Th(H3PO4)(H2PO4)+3 ClO4- 0.5 Th(H3PO4)+4 ClO4- 0.7 Th(NO3)+3 ClO4- 0.56 Th(NO3)+3 NO3- 0.56 Th(NO3)2+2 ClO4- 0.43 Th(NO3)2+2 NO3- 0.43 Th(OH)(CO3)4-5 Na+ -0.22 Th(OH)+3 Cl- 0.19 Th(OH)+3 ClO4- 0.48 Th(OH)+3 NO3- 0.2 Th(OH)2(CO3)2-2 Na+ -0.1 Th(OH)2+2 Cl- 0.13 Th(OH)2+2 ClO4- 0.33 Th(OH)2+2 NO3- 0.1 Th(OH)3(CO3)- Na+ -0.05 Th(OH)3+ Cl- 0.06 Th(OH)3+ ClO4- 0.15 Th(OH)3+ NO3- 0.05 Th(OH)4(CO3)-2 Na+ -0.1 Th(SO4)+2 Cl- 0.14 Th(SO4)+2 ClO4- 0.3 Th(SO4)3-2 Na+ -0.091 Th+4 Cl- 0.7 Th+4 ClO4- 0.7 Th+4 NO3- 0.7 Th2(OH)2+6 Cl- 0.4 Th2(OH)2+6 ClO4- 1.22 Th2(OH)2+6 NO3- 0.69 Th2(OH)3+5 Cl- 0.29 Th2(OH)3+5 ClO4- 0.91 Th2(OH)3+5 NO3- 0.69 Th4(OH)12+4 Cl- 0.25 Th4(OH)12+4 ClO4- 0.56 Th4(OH)12+4 NO3- 0.42 Th4(OH)8+8 Cl- 0.7 Th4(OH)8+8 ClO4- 1.69 Th4(OH)8+8 NO3- 1.59 Th6(OH)14+10 Cl- 0.83 Th6(OH)14+10 ClO4- 2.2 Th6(OH)14+10 NO3- 2.9 Th6(OH)15+9 Cl- 0.72 Th6(OH)15+9 ClO4- 1.85 Th6(OH)15+9 NO3- 2.2 ThCl+3 Cl- 0.62 ThCl+3 ClO4- 0.62 ThF+3 ClO4- 0.48 ThF+3 NO3- 0.25 ThF2+2 ClO4- 0.3 ThF2+2 NO3- 0.15 ThF3+ ClO4- 0.1 ThF3+ NO3- 0 U(CO3)4-4 Na+ -0.09 U(CO3)5-6 Na+ -0.3 U(NO3)+3 ClO4- 0.62 U(NO3)2+2 Cl- 0.236 U(NO3)2+2 ClO4- 0.49 U(OH)+3 Cl- 0.2 U(OH)+3 ClO4- 0.48 U(OH)2+2 Cl- 0.1 U(OH)3+ Cl- 0.05 U(SO4)+2 Cl- 0.149 U(SO4)+2 ClO4- 0.3 U+3 Cl- 0.23 U+3 ClO4- 0.49 U+4 Cl- 0.36 U+4 ClO4- 0.76 UBr+3 ClO4- 0.52 UCl+3 Cl- 0.1 UCl+3 ClO4- 0.5 UF+3 Cl- 0.1 UF+3 ClO4- 0.48 UF2+2 Cl- 0.149 UF2+2 ClO4- 0.3 UF3+ Cl- 0.1 UF3+ ClO4- 0.1 UI+3 ClO4- 0.55 UI+3 NO3- 0.56 UO2(CO3)2-2 Na+ -0.02 UO2(CO3)3-4 Na+ -0.01 UO2(CO3)3-5 Na+ -0.62 UO2(Cit)- Na+ -0.11 UO2(NO3)+ Cl- 0.22 UO2(NO3)+ ClO4- 0.33 UO2(OH)+ Cl- -0.003 UO2(OH)+ ClO4- -0.06 UO2(OH)+ NO3- 0.51 UO2(OH)3- Na+ -0.09 UO2(Ox)2-2 Na+ -0.18 UO2(Ox)3-4 Na+ -0.01 UO2(SO4)2-2 Na+ -0.12 UO2+ Cl- 0.18 UO2+ ClO4- 0.26 UO2+2 Cl- 0.46 UO2+2 ClO4- 0.46 UO2+2 NO3- 0.46 UO2Br+ Cl- 0.169 UO2Br+ ClO4- 0.24 UO2Cl+ Cl- 0.22 UO2Cl+ ClO4- 0.33 UO2F+ Cl- 0.04 UO2F+ ClO4- 0.28 UO2F3- Na+ -0.14 UO2F4-2 Na+ -0.3 Zn+2 Cl- 0.163 Zn+2 ClO4- 0.33 Zn+2 NO3- 0.16 Zr(CO3)4-4 Na+ -0.09 Zr(NO3)2+2 ClO4- 0.84 Zr(OH)+3 ClO4- 0.57 Zr(OH)2+2 ClO4- 0.62 Zr(OH)6-2 Na+ -0.1 Zr+4 Cl- 0.89 Zr+4 ClO4- 0.89 Zr+4 NO3- 0.89 Zr4(OH)15+ ClO4- 0.09 ZrCl+3 ClO4- 0.87 ZrCl2+2 ClO4- 0.84 ZrF+3 ClO4- 0.63 ZrF2+2 ClO4- 0.47 ZrF5- Na+ -0.14 ZrF6-2 Na+ -0.15 ZrNO3+3 ClO4- 0.88 SOLUTION_SPECIES 1.000H2O = H2O log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000H+ = H+ log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #89COX/WAG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000e- = e- log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #89COX/WAG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Acetate- = Acetate- log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -486.01 #kJ/mol #82WAG/EVA -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Adipate-2 = Adipate-2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Ag+ = Ag+ log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: 105.79 #kJ/mol #95SIL/BID -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Al+3 = Al+3 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -538.4 #kJ/mol #95POK/HEL -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Am+3 = Am+3 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -616.7 #kJ/mol #95SIL/BID -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000AsO4-3 = AsO4-3 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -888.14 #kJ/mol #09RAN/FUG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000B(OH)4- = B(OH)4- log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -1345.116 #kJ/mol #99RAR/RAN -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Ba+2 = Ba+2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -534.8 #kJ/mol #95SIL/BID -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Br- = Br- log_k 0.000 #95SIL/BID delta_h 0.000 #kJ/mol # Enthalpy of formation: -121.41 #kJ/mol #95SIL/BID -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000CO3-2 = CO3-2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -675.23 #kJ/mol #89COX/WAG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 = Ca+2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -543 #kJ/mol #89COX/WAG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Cd+2 = Cd+2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -75.92 #kJ/mol #89COX/WAG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Cit-3 = Cit-3 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -1519.92 #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Cl- = Cl- log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -167.08 #kJ/mol #89COX/WAG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Cm+3 = Cm+3 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -615 #kJ/mol #01KON2 -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Cn- = Cn- log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: 150.624 #kJ/mol #92JOH/OEL -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Co+2 = Co+2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -57.6 #kJ/mol #98PLY/ZHA1 -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000CrO4-2 = CrO4-2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -879 #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Cs+ = Cs+ log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -258 #kJ/mol #95SIL/BID -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Cu+2 = Cu+2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: 64.9 #kJ/mol #92GRE/FUG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Edta-4 = Edta-4 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -1704.8 #kJ/mol #05HUM/AND -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 = Eu+3 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -605.331 #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000F- = F- log_k 0.000 #95SIL/BID delta_h 0.000 #kJ/mol # Enthalpy of formation: -335.35 #kJ/mol #95SIL/BID -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 = Fe+2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -90 #kJ/mol #98CHI -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000H2(PO4)- = H2(PO4)- log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -1302.6 #kJ/mol #89COX/WAG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000H4(SiO4) = H4(SiO4) log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -1461.194 #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000HGlu- = HGlu- log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000HIsa- = HIsa- log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Hf+4 = Hf+4 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -628.91 #kJ/mol #99VAS/LYT -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Hg+2 = Hg+2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: 170.21 #kJ/mol #92GRE/FUG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Ho+3 = Ho+3 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -707.042 #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000I- = I- log_k 0.000 #92GRE/FUG delta_h 0.000 #kJ/mol # Enthalpy of formation: -56.78 #kJ/mol #92GRE/FUG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000K+ = K+ log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -252.14 #kJ/mol #89COX/WAG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Li+ = Li+ log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Malonate-2 = Malonate-2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Mg+2 = Mg+2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -467 #kJ/mol #89COX/WAG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 = Mn+2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -220.8 #kJ/mol #95ROB/HEM -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000MoO4-2 = MoO4-2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -997 #kJ/mol #74OHA -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000NO3- = NO3- log_k 0.000 #92GRE/FUG delta_h 0.000 #kJ/mol # Enthalpy of formation: -206.85 #kJ/mol #92GRE/FUG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Na+ = Na+ log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -240.34 #kJ/mol #92GRE/FUG (89COX/WAG) -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Nb(OH)6- = Nb(OH)6- log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -1925.665 #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 = Ni+2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -55.012 #kJ/mol #05GAM/BUG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000NpO2+2 = NpO2+2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -860.733 #kJ/mol #01LEM/FUG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Nta-3 = Nta-3 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Ox-2 = Ox-2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -830.66 #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Pa+4 = Pa+4 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -620 #kJ/mol #85BAR/PAR -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Pb+2 = Pb+2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: 0.92 #kJ/mol #89COX/WAG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Pd+2 = Pd+2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: 189.883 #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Phthalat-2 = Phthalat-2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000PuO2+2 = PuO2+2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -822.036 #kJ/mol #01LEM/FUG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Pyrophos-4 = Pyrophos-4 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Ra+2 = Ra+2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -528.025 #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Rb+ = Rb+ log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -251.12 #kJ/mol #92GRE/FUG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000SO4-2 = SO4-2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -909.34 #kJ/mol #89COX/WAG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Sb(OH)3 = Sb(OH)3 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -733.892 #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Scn- = Scn- log_k 0.000 #92GRE/FUG delta_h 0.000 #kJ/mol # Enthalpy of formation: 76.4 #kJ/mol #92GRE/FUG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000SeO4-2 = SeO4-2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -603.5 #kJ/mol #05OLI/NOL -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Sm+3 = Sm+3 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -691.199 #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Sn+2 = Sn+2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -9.617 #kJ/mol #12GAM/GAJ -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 = Sr+2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -550.9 #kJ/mol #84BUS/PLUS -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Suberate-2 = Suberate-2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Succinat-2 = Succinat-2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000TcO(OH)2 = TcO(OH)2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -749.32 #kJ/mol -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Th+4 = Th+4 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -768.7 #kJ/mol #09RAN/FUG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 = UO2+2 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -1019 #kJ/mol #92GRE/FUG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Zn+2 = Zn+2 log_k 0.000 #92GRE/FUG delta_h 0.000 #kJ/mol # Enthalpy of formation: -153.39 #kJ/mol #92GRE/FUG -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Zr+4 = Zr+4 log_k 0.000 delta_h 0.000 #kJ/mol # Enthalpy of formation: -608.5 #kJ/mol #05BRO/CUR -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 1.000Am+3 + 0.500H2O - 1.000H+ - 0.250O2 = Am+2 log_k -60.375 #95SIL/BID delta_h 401.958 #kJ/mol # Enthalpy of formation: -354.624 #kJ/mol -analytic 1.00448E+1 0E+0 -2.09957E+4 0E+0 0E+0 1.000Am+3 - 0.500H2O + 1.000H+ + 0.250O2 = Am+4 log_k -22.715 delta_h 70.819 #kJ/mol # Enthalpy of formation: -406 #kJ/mol #95SIL/BID -analytic -1.03081E+1 0E+0 -3.6991E+3 0E+0 0E+0 - 2.000H+ + 1.000Am+3 + 1.000H2O + 0.500O2 = AmO2+ log_k -15.380 delta_h 104.337 #kJ/mol #95SIL/BID # Enthalpy of formation: -804.26 #kJ/mol -analytic 2.89903E+0 0E+0 -5.44989E+3 0E+0 0E+0 - 1.000H+ + 1.000Am+3 + 0.500H2O + 0.750O2 = AmO2+2 log_k -20.865 delta_h 117.956 #kJ/mol #95SIL/BID # Enthalpy of formation: -650.76 #kJ/mol -analytic -2.00114E-1 0E+0 -6.16124E+3 0E+0 0E+0 2.000H+ + 1.000CO3-2 + 1.000H2O - 2.000O2 = CH4 log_k -133.770 delta_h 848.886 #kJ/mol # Enthalpy of formation: -87.906 #kJ/mol #01SCH/SHO -analytic 1.49482E+1 0E+0 -4.43403E+4 0E+0 0E+0 4.000H+ + 1.000CrO4-2 - 2.000H2O - 1.000O2 = Cr+2 log_k -18.760 #04CHI delta_h 137.587 #kJ/mol # Enthalpy of formation: -157.62 #kJ/mol -analytic 5.34417E+0 0E+0 -7.18666E+3 0E+0 0E+0 5.000H+ + 1.000CrO4-2 - 2.500H2O - 0.750O2 = Cr+3 log_k 9.135 delta_h -85.176 #kJ/mol # Enthalpy of formation: -240.5 #kJ/mol #04CHI -analytic -5.78709E+0 0E+0 4.44902E+3 0E+0 0E+0 1.000Cu+2 + 0.500H2O - 1.000H+ - 0.250O2 = Cu+ log_k -18.855 delta_h 146.652 #kJ/mol # Enthalpy of formation: 71.67 #kJ/mol #82WAG/EVA -analytic 6.8372E+0 0E+0 -7.66013E+3 0E+0 0E+0 1.000Eu+3 + 0.500H2O - 1.000H+ - 0.250O2 = Eu+2 log_k -27.465 delta_h 217.611 #kJ/mol # Enthalpy of formation: -527.602 #kJ/mol #92JOH/OEL -analytic 1.06587E+1 0E+0 -1.13666E+4 0E+0 0E+0 1.000Fe+2 - 0.500H2O + 1.000H+ + 0.250O2 = Fe+3 log_k 8.485 delta_h -98.882 #kJ/mol # Enthalpy of formation: -49 #kJ/mol #98CHI -analytic -8.83827E+0 0E+0 5.16493E+3 0E+0 0E+0 1.000H2O - 0.500O2 = H2 log_k -46.070 delta_h 275.563 #kJ/mol # Enthalpy of formation: -4.2 #kJ/mol #82WAG/EVA -analytic 2.20649E+0 0E+0 -1.43936E+4 0E+0 0E+0 3.000H+ + 1.000AsO4-3 - 0.500O2 = H3(AsO3) log_k -2.960 delta_h 139.873 #kJ/mol # Enthalpy of formation: -742.2 #kJ/mol #09RAN/FUG -analytic 2.15447E+1 0E+0 -7.30606E+3 0E+0 0E+0 1.000H+ + 1.000SO4-2 - 2.000O2 = HS- log_k -138.270 delta_h 868.772 #kJ/mol # Enthalpy of formation: -16.3 #kJ/mol #89COX/WAG -analytic 1.39321E+1 0E+0 -4.53791E+4 0E+0 0E+0 1.000H+ + 1.000SeO4-2 - 2.000O2 = HSe- log_k -90.390 delta_h 593.532 #kJ/mol # Enthalpy of formation: 14.3 #kJ/mol #05OLI/NOL -analytic 1.35922E+1 0E+0 -3.10023E+4 0E+0 0E+0 2.000Hg+2 + 1.000H2O - 2.000H+ - 0.500O2 = Hg2+2 log_k -12.200 delta_h 106.213 #kJ/mol # Enthalpy of formation: 166.87 #kJ/mol #01LEM/FUG -analytic 6.40769E+0 0E+0 -5.54788E+3 0E+0 0E+0 1.000I- + 1.500O2 = IO3- log_k 17.410 #92GRE/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: -219.7 #kJ/mol #92GRE/FUG -analytic 1.741E+1 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000NO3- + 1.000H2O - 2.000O2 = NH3 log_k -61.960 #95SIL/BID delta_h 387.242 #kJ/mol # Enthalpy of formation: -81.17 #kJ/mol #95SIL/BID -analytic 5.88179E+0 0E+0 -2.0227E+4 0E+0 0E+0 1.000Np+4 + 0.500H2O - 1.000H+ - 0.250O2 = Np+3 log_k -17.795 delta_h 168.720 #kJ/mol # Enthalpy of formation: -527.184 #kJ/mol #01LEM/FUG -analytic 1.17633E+1 0E+0 -8.81282E+3 0E+0 0E+0 1.000NpO2+ + 3.000H+ - 1.500H2O - 0.250O2 = Np+4 log_k -11.285 delta_h -9.620 #kJ/mol # Enthalpy of formation: -556.022 #kJ/mol #01LEM/FUG -analytic -1.29703E+1 0E+0 5.02461E+2 0E+0 0E+0 1.000NpO2+2 + 0.500H2O - 1.000H+ - 0.250O2 = NpO2+ log_k -1.905 delta_h 22.434 #kJ/mol # Enthalpy of formation: -978.181 #kJ/mol #01LEM/FUG -analytic 2.02517E+0 0E+0 -1.17178E+3 0E+0 0E+0 - 4.000H+ - 4.000e- + 2.000H2O = O2 log_k -85.980 #89COX/WAG delta_h 559.526 #kJ/mol # Enthalpy of formation: -12.134 #kJ/mol #01SCH/SHO -analytic 1.20446E+1 0E+0 -2.9226E+4 0E+0 0E+0 - 3.000H+ + 1.000Pa+4 + 1.500H2O + 0.250O2 = PaO2+ log_k 25.715 #85BAR/PAR, 76BAE/MES # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.5715E+1 0E+0 0E+0 0E+0 0E+0 1.000Pu+4 + 0.500H2O - 1.000H+ - 0.250O2 = Pu+3 log_k -3.805 delta_h 87.987 #kJ/mol # Enthalpy of formation: -591.79 #kJ/mol #01LEM/FUG -analytic 1.16096E+1 0E+0 -4.59585E+3 0E+0 0E+0 1.000PuO2+ + 3.000H+ - 1.500H2O - 0.250O2 = Pu+4 log_k -4.045 delta_h -61.547 #kJ/mol # Enthalpy of formation: -539.895 #kJ/mol #01LEM/FUG -analytic -1.48275E+1 0E+0 3.21479E+3 0E+0 0E+0 1.000PuO2+2 + 0.500H2O - 1.000H+ - 0.250O2 = PuO2+ log_k -5.675 delta_h 51.791 #kJ/mol #01LEM/FUG # Enthalpy of formation: -910.127 #kJ/mol -analytic 3.39829E+0 0E+0 -2.7052E+3 0E+0 0E+0 2.000H+ + 2.000SO4-2 - 1.000H2O - 2.000O2 = S2O3-2 log_k -133.400 delta_h 856.296 #kJ/mol # Enthalpy of formation: -652.286 #kJ/mol #04CHI -analytic 1.66164E+1 0E+0 -4.47274E+4 0E+0 0E+0 2.000H+ + 2.000SO4-2 - 1.000H2O - 1.500O2 = S2O4-2 log_k -118.270 delta_h 761.149 #kJ/mol # Enthalpy of formation: -735.5 #kJ/mol #82WAG/EVA -analytic 1.50774E+1 0E+0 -3.97575E+4 0E+0 0E+0 1.000SO4-2 - 0.500O2 = SO3-2 log_k -46.610 delta_h 272.213 #kJ/mol # Enthalpy of formation: -631.06 #kJ/mol #85GOL/PAR -analytic 1.0796E+0 0E+0 -1.42187E+4 0E+0 0E+0 1.000Sb(OH)3 + 1.000H2O + 0.500O2 = Sb(OH)5 log_k 21.250 #99LOT/OCH recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.125E+1 0E+0 0E+0 0E+0 0E+0 1.000SeO4-2 - 0.500O2 = SeO3-2 log_k -14.950 #05OLI/NOL delta_h 90.273 #kJ/mol # Enthalpy of formation: -507.16 #kJ/mol #05OLI/NOL -analytic 8.65128E-1 0E+0 -4.71528E+3 0E+0 0E+0 1.000Sn+2 - 1.000H2O + 2.000H+ + 0.500O2 = Sn+4 log_k 30.010 #12GAM/GAJ; E¿=0.384V for Sn2+/Sn4+ reaction ( I=0) delta_h -301.645 #kJ/mol # Enthalpy of formation: -31.499 #kJ/mol -analytic -2.28359E+1 0E+0 1.5756E+4 0E+0 0E+0 1.000TcO(OH)2 - 1.000H+ - 0.500H2O + 0.750O2 = TcO4- log_k 35.055 delta_h -113.895 #kJ/mol # Enthalpy of formation: -729.4 #kJ/mol #99RAR/RAN -analytic 1.51016E+1 0E+0 5.94912E+3 0E+0 0E+0 1.000TcO4- + 0.500H2O - 1.000H+ - 0.250O2 = TcO4-2 log_k -32.295 #99RAR/RAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.2295E+1 0E+0 0E+0 0E+0 0E+0 1.000U+4 + 0.500H2O - 1.000H+ - 0.250O2 = U+3 log_k -30.845 #92GRE/FUG delta_h 241.982 #kJ/mol #92GRE/FUG # Enthalpy of formation: -489.1 #kJ/mol -analytic 1.15483E+1 0E+0 -1.26396E+4 0E+0 0E+0 1.000UO2+2 + 2.000H+ - 1.000H2O - 0.500O2 = U+4 log_k -33.950 #92GRE/FUG delta_h 135.903 #kJ/mol # Enthalpy of formation: -591.2 #kJ/mol #92GRE/FUG -analytic -1.01409E+1 0E+0 -7.0987E+3 0E+0 0E+0 1.000UO2+2 + 0.500H2O - 1.000H+ - 0.250O2 = UO2+ log_k -20.015 delta_h 133.755 #kJ/mol # Enthalpy of formation: -1025.127 #kJ/mol -analytic 3.41775E+0 0E+0 -6.98647E+3 0E+0 0E+0 2.000NpO2+2 - 2.000H+ + 2.000H2O = (NpO2)2(OH)2+2 log_k -6.270 #01LEM/FUG delta_h 44.996 #kJ/mol # Enthalpy of formation: -2248.13 #kJ/mol -analytic 1.61295E+0 0E+0 -2.3503E+3 0E+0 0E+0 2.000NpO2+2 - 3.000H+ + 1.000CO3-2 + 3.000H2O = (NpO2)2CO3(OH)3- log_k -2.870 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.87E+0 0E+0 0E+0 0E+0 0E+0 3.000NpO2+2 + 6.000CO3-2 = (NpO2)3(CO3)6-6 log_k 49.840 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.984E+1 0E+0 0E+0 0E+0 0E+0 3.000NpO2+2 - 5.000H+ + 5.000H2O = (NpO2)3(OH)5+ log_k -17.120 #01LEM/FUG delta_h 110.667 #kJ/mol # Enthalpy of formation: -3900.682 #kJ/mol -analytic 2.268E+0 0E+0 -5.78053E+3 0E+0 0E+0 2.000PuO2+2 - 2.000H+ + 2.000H2O = (PuO2)2(OH)2+2 log_k -7.500 #01LEM/FUG delta_h 43.583 #kJ/mol # Enthalpy of formation: -2172.149 #kJ/mol -analytic 1.35403E-1 0E+0 -2.2765E+3 0E+0 0E+0 3.000PuO2+2 + 6.000CO3-2 = (PuO2)3(CO3)6-6 log_k 46.020 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.602E+1 0E+0 0E+0 0E+0 0E+0 1.000TcO(OH)2 - 1.000H+ + 1.000H2O = (TcO)(OH)3- log_k -10.800 delta_h 39.030 #kJ/mol #97NGU/LAN # Enthalpy of formation: -996.12 #kJ/mol -analytic -3.96225E+0 0E+0 -2.03868E+3 0E+0 0E+0 2.000Th+4 - 2.000H+ + 2.000Edta-4 + 2.000H2O = (Th(OH)(Edta))2-2 log_k 43.700 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.37E+1 0E+0 0E+0 0E+0 0E+0 2.000U+4 - 2.000H+ + 2.000Edta-4 + 2.000H2O = (U(OH)(Edta))2-2 log_k 51.700 #63ERM/KRO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.17E+1 0E+0 0E+0 0E+0 0E+0 11.000UO2+2 - 12.000H+ + 6.000CO3-2 + 12.000H2O = (UO2)11(CO3)6(OH)12-2 log_k 36.430 #92GRE/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.643E+1 0E+0 0E+0 0E+0 0E+0 2.000UO2+2 - 3.000H+ + 1.000CO3-2 + 3.000H2O = (UO2)2(CO3)(OH)3- log_k -0.860 #92GRE/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -8.6E-1 0E+0 0E+0 0E+0 0E+0 2.000UO2+2 + 2.000Cit-3 = (UO2)2(Cit)2-2 log_k 21.300 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.13E+1 0E+0 0E+0 0E+0 0E+0 2.000UO2+2 + 1.000Edta-4 = (UO2)2(Edta) log_k 20.600 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0 2.000UO2+2 + 1.000NpO2+2 + 6.000CO3-2 = (UO2)2(NpO2)(CO3)6-6 log_k 53.590 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.359E+1 0E+0 0E+0 0E+0 0E+0 2.000UO2+2 - 1.000H+ + 1.000H2O = (UO2)2(OH)+3 log_k -2.700 #92GRE/FUG delta_h 14.354 #kJ/mol # Enthalpy of formation: -2309.476 #kJ/mol -analytic -1.85291E-1 0E+0 -7.49761E+2 0E+0 0E+0 2.000UO2+2 - 2.000H+ + 2.000H2O = (UO2)2(OH)2+2 log_k -5.620 #92GRE/FUG delta_h 37.595 #kJ/mol # Enthalpy of formation: -2572.065 #kJ/mol -analytic 9.66352E-1 0E+0 -1.96372E+3 0E+0 0E+0 3.000UO2+2 - 3.000H+ + 1.000CO3-2 + 3.000H2O = (UO2)3(CO3)(OH)3+ log_k 0.660 #92GRE/FUG delta_h 81.159 #kJ/mol # Enthalpy of formation: -4361.23 #kJ/mol -analytic 1.48784E+1 0E+0 -4.23922E+3 0E+0 0E+0 3.000UO2+2 + 6.000CO3-2 = (UO2)3(CO3)6-6 log_k 54.000 #92GRE/FUG delta_h -62.700 #kJ/mol #92GRE/FUG # Enthalpy of formation: -7171.08 #kJ/mol -analytic 4.30154E+1 0E+0 3.27504E+3 0E+0 0E+0 3.000UO2+2 - 4.000H+ + 4.000H2O = (UO2)3(OH)4+2 log_k -11.900 #92GRE/FUG delta_h 84.264 #kJ/mol # Enthalpy of formation: -4251.906 #kJ/mol -analytic 2.8624E+0 0E+0 -4.40141E+3 0E+0 0E+0 3.000UO2+2 - 5.000H+ + 5.000H2O = (UO2)3(OH)5+ log_k -15.550 #92GRE/FUG delta_h 97.063 #kJ/mol # Enthalpy of formation: -4389.086 #kJ/mol -analytic 1.45468E+0 0E+0 -5.06995E+3 0E+0 0E+0 3.000UO2+2 - 7.000H+ + 7.000H2O = (UO2)3(OH)7- log_k -32.200 #92SAN/BRU delta_h 229.868 #kJ/mol # Enthalpy of formation: -4827.942 #kJ/mol -analytic 8.07109E+0 0E+0 -1.20068E+4 0E+0 0E+0 4.000UO2+2 - 7.000H+ + 7.000H2O = (UO2)4(OH)7+ log_k -21.900 #92GRE/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.19E+1 0E+0 0E+0 0E+0 0E+0 1.000Ag+ + 2.000CO3-2 = Ag(CO3)2-3 log_k 2.160 #97SVE/SHO delta_h -28.044 #kJ/mol # Enthalpy of formation: -1272.714 #kJ/mol -analytic -2.75309E+0 0E+0 1.46484E+3 0E+0 0E+0 1.000Ag+ + 1.000HS- = Ag(HS) log_k 14.050 #74NAU/RYZ in 91BAL/NOR delta_h -78.826 #kJ/mol # Enthalpy of formation: 10.664 #kJ/mol -analytic 2.40298E-1 0E+0 4.11736E+3 0E+0 0E+0 1.000Ag+ + 2.000HS- = Ag(HS)2- log_k 18.450 #74NAU/RYZ in 91BAL/NOR delta_h -105.805 #kJ/mol # Enthalpy of formation: -32.615 #kJ/mol -analytic -8.62131E-2 0E+0 5.52657E+3 0E+0 0E+0 1.000Ag+ - 1.000H+ + 1.000H2O = Ag(OH) log_k -12.000 #76BAE/MES delta_h 47.178 #kJ/mol # Enthalpy of formation: -132.862 #kJ/mol -analytic -3.73478E+0 0E+0 -2.46427E+3 0E+0 0E+0 1.000Ag+ - 2.000H+ + 2.000H2O = Ag(OH)2- log_k -24.000 #76BAE/MES delta_h 111.634 #kJ/mol # Enthalpy of formation: -354.236 #kJ/mol -analytic -4.44259E+0 0E+0 -5.83104E+3 0E+0 0E+0 1.000Ag+ + 1.000S2O3-2 = Ag(S2O3)- log_k 9.230 #74BEL/MAR in 82H¿G delta_h -58.994 #kJ/mol #74BEL/MAR in 82H¿G # Enthalpy of formation: -601.724 #kJ/mol -analytic -1.10529E+0 0E+0 3.08147E+3 0E+0 0E+0 1.000Ag+ + 2.000S2O3-2 = Ag(S2O3)2-3 log_k 13.640 #72POU/RIG in 82H¿G delta_h -94.450 #kJ/mol # Enthalpy of formation: -1285.7 #kJ/mol #82WAG/EVA -analytic -2.90691E+0 0E+0 4.93346E+3 0E+0 0E+0 1.000Ag+ + 1.000SO3-2 = Ag(SO3)- log_k 5.210 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.21E+0 0E+0 0E+0 0E+0 0E+0 1.000Ag+ + 1.000SO4-2 = Ag(SO4)- log_k 1.380 delta_h 4.646 #kJ/mol # Enthalpy of formation: -798.904 #kJ/mol -analytic 2.19394E+0 0E+0 -2.42677E+2 0E+0 0E+0 1.000Ag+ + 3.000H+ + 3.000Cn- + 3.000HSe- - 3.000H2O + 1.500O2 = Ag(SeCn)3-2 log_k 181.900 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.819E+2 0E+0 0E+0 0E+0 0E+0 1.000Ag+ + 1.000SeO3-2 = Ag(SeO3)- log_k 3.200 #Data from 68MEH and 69MEH/GUB in 05OLI/NOL corrected to I=0 by DH # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.2E+0 0E+0 0E+0 0E+0 0E+0 1.000Ag+ + 1.000Br- = AgBr log_k 4.240 #91BAL/NOR, 68WAG delta_h -23.129 #kJ/mol # Enthalpy of formation: -38.749 #kJ/mol -analytic 1.87979E-1 0E+0 1.20811E+3 0E+0 0E+0 1.000Ag+ + 2.000Br- = AgBr2- log_k 7.280 #91BAL/NOR, 68WAG delta_h -45.296 #kJ/mol # Enthalpy of formation: -182.326 #kJ/mol -analytic -6.55507E-1 0E+0 2.36597E+3 0E+0 0E+0 1.000Ag+ + 3.000Br- = AgBr3-2 log_k 8.710 #91BAL/NOR, 68WAG delta_h -66.741 #kJ/mol # Enthalpy of formation: -325.181 #kJ/mol -analytic -2.9825E+0 0E+0 3.48612E+3 0E+0 0E+0 1.000Ag+ + 1.000CO3-2 = AgCO3- log_k 2.690 #97SVE/SHO delta_h -22.832 #kJ/mol # Enthalpy of formation: -592.272 #kJ/mol -analytic -1.30999E+0 0E+0 1.1926E+3 0E+0 0E+0 1.000Ag+ + 1.000Cl- = AgCl log_k 3.270 #91BAL/NOR delta_h -17.099 #kJ/mol # Enthalpy of formation: -78.389 #kJ/mol -analytic 2.74388E-1 0E+0 8.93142E+2 0E+0 0E+0 1.000Ag+ + 2.000Cl- = AgCl2- log_k 5.270 #91BAL/NOR delta_h -28.752 #kJ/mol # Enthalpy of formation: -257.122 #kJ/mol -analytic 2.32873E-1 0E+0 1.50182E+3 0E+0 0E+0 1.000Ag+ + 3.000Cl- = AgCl3-2 log_k 5.290 #91BAL/NOR delta_h -29.163 #kJ/mol # Enthalpy of formation: -424.613 #kJ/mol -analytic 1.80869E-1 0E+0 1.52329E+3 0E+0 0E+0 1.000Ag+ + 4.000Cl- = AgCl4-3 log_k 5.510 #91BAL/NOR delta_h -26.094 #kJ/mol # Enthalpy of formation: -588.624 #kJ/mol -analytic 9.38534E-1 0E+0 1.36298E+3 0E+0 0E+0 1.000Ag+ + 1.000I- = AgI log_k 6.580 #76SMI/MAR delta_h -36.962 #kJ/mol # Enthalpy of formation: 12.048 #kJ/mol -analytic 1.04545E-1 0E+0 1.93066E+3 0E+0 0E+0 1.000Ag+ + 2.000I- = AgI2- log_k 11.700 #76SMI/MAR delta_h -76.578 #kJ/mol # Enthalpy of formation: -84.348 #kJ/mol -analytic -1.71587E+0 0E+0 3.99994E+3 0E+0 0E+0 1.000Ag+ + 3.000I- = AgI3-2 log_k 13.280 delta_h -114.911 #kJ/mol # Enthalpy of formation: -179.461 #kJ/mol -analytic -6.85151E+0 0E+0 6.00221E+3 0E+0 0E+0 1.000Ag+ + 1.000NO3- = AgNO3 log_k -0.290 #91BAL/NOR, 68WAG delta_h -0.740 #kJ/mol # Enthalpy of formation: -101.8 #kJ/mol #82WAG/EVA -analytic -4.19642E-1 0E+0 3.86528E+1 0E+0 0E+0 1.000Al+3 + 1.000Cit-3 = Al(Cit) log_k 9.900 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.9E+0 0E+0 0E+0 0E+0 0E+0 1.000Al+3 - 1.000H+ + 2.000Cit-3 + 1.000H2O = Al(Cit)2(OH)-4 log_k 10.190 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.019E+1 0E+0 0E+0 0E+0 0E+0 1.000Al+3 + 2.000Cit-3 = Al(Cit)2-3 log_k 14.130 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.413E+1 0E+0 0E+0 0E+0 0E+0 1.000Al+3 + 1.000Edta-4 = Al(Edta)- log_k 19.080 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.908E+1 0E+0 0E+0 0E+0 0E+0 1.000Al+3 + 1.000H+ + 1.000Cit-3 = Al(HCit)+ log_k 12.900 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0 1.000Al+3 + 1.000H+ + 1.000Edta-4 = Al(HEdta) log_k 21.820 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.182E+1 0E+0 0E+0 0E+0 0E+0 1.000Al+3 + 1.000H+ + 1.000Nta-3 = Al(HNta)+ log_k 15.130 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.513E+1 0E+0 0E+0 0E+0 0E+0 1.000Al+3 + 1.000H+ + 1.000Ox-2 = Al(HOx)+2 log_k 7.500 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0 1.000Al+3 + 1.000IO3- = Al(IO3)+2 log_k 2.460 #estimation NEA87 08/2/95 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.46E+0 0E+0 0E+0 0E+0 0E+0 1.000Al+3 + 2.000IO3- = Al(IO3)2+ log_k 4.300 #estimation NEA87 08/2/95 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.3E+0 0E+0 0E+0 0E+0 0E+0 1.000Al+3 + 1.000Nta-3 = Al(Nta) log_k 13.230 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.323E+1 0E+0 0E+0 0E+0 0E+0 1.000Al+3 - 2.000H+ + 1.000Nta-3 + 2.000H2O = Al(Nta)(OH)2-2 log_k -0.300 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3E-1 0E+0 0E+0 0E+0 0E+0 1.000Al+3 + 2.000Nta-3 = Al(Nta)2-3 log_k 20.800 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.08E+1 0E+0 0E+0 0E+0 0E+0 1.000Al+3 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Al(OH)(Cit)- log_k 8.100 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.1E+0 0E+0 0E+0 0E+0 0E+0 1.000Al+3 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Al(OH)(Edta)-2 log_k 13.000 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0 1.000Al+3 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Al(OH)(Nta)- log_k 6.790 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0 1.000Al+3 - 1.000H+ + 1.000H2O = Al(OH)+2 log_k -4.950 #95POK/HEL delta_h 49.760 #kJ/mol # Enthalpy of formation: -774.47 #kJ/mol -analytic 3.76756E+0 0E+0 -2.59914E+3 0E+0 0E+0 1.000Al+3 - 2.000H+ + 1.000Edta-4 + 2.000H2O = Al(OH)2(Edta)-3 log_k 2.300 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0 1.000Al+3 - 2.000H+ + 2.000H2O = Al(OH)2+ log_k -10.580 delta_h 98.264 #kJ/mol # Enthalpy of formation: -1011.796 #kJ/mol #95POK/HEL -analytic 6.63509E+0 0E+0 -5.13268E+3 0E+0 0E+0 1.000Al+3 - 2.000H+ + 1.000F- + 2.000H2O = Al(OH)2F log_k -4.210 delta_h 118.636 #kJ/mol # Enthalpy of formation: -1326.774 #kJ/mol #01TAG/SCH -analytic 1.65741E+1 0E+0 -6.19678E+3 0E+0 0E+0 1.000Al+3 - 2.000H+ + 2.000F- + 2.000H2O = Al(OH)2F2- log_k -1.990 delta_h 134.839 #kJ/mol # Enthalpy of formation: -1645.921 #kJ/mol #01TAG/SCH -analytic 2.16327E+1 0E+0 -7.04312E+3 0E+0 0E+0 1.000Al+3 - 3.000H+ + 3.000H2O = Al(OH)3 log_k -16.420 delta_h 144.686 #kJ/mol # Enthalpy of formation: -1251.204 #kJ/mol #95POK/HEL -analytic 8.92786E+0 0E+0 -7.55747E+3 0E+0 0E+0 1.000Al+3 - 4.000H+ + 4.000H2O = Al(OH)4- log_k -22.870 delta_h 180.881 #kJ/mol # Enthalpy of formation: -1500.839 #kJ/mol #95POK/HEL -analytic 8.81894E+0 0E+0 -9.44806E+3 0E+0 0E+0 1.000Al+3 + 1.000Ox-2 = Al(Ox)+ log_k 9.400 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.4E+0 0E+0 0E+0 0E+0 0E+0 1.000Al+3 + 2.000Ox-2 = Al(Ox)2- log_k 15.390 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.539E+1 0E+0 0E+0 0E+0 0E+0 1.000Al+3 + 3.000Ox-2 = Al(Ox)3-3 log_k 18.300 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0 1.000Al+3 + 1.000SO4-2 = Al(SO4)+ log_k 3.170 #01TAG/SCH delta_h 18.870 #kJ/mol # Enthalpy of formation: -1428.87 #kJ/mol -analytic 6.47588E+0 0E+0 -9.85647E+2 0E+0 0E+0 2.000Al+3 - 2.000H+ + 4.000Ox-2 + 2.000H2O = Al2(Ox)4(OH)2-4 log_k -6.000 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6E+0 0E+0 0E+0 0E+0 0E+0 3.000Al+3 - 4.000H+ + 3.000Cit-3 + 4.000H2O = Al3(Cit)3(OH)4-4 log_k 20.600 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0 3.000Al+3 - 3.000H+ + 3.000Ox-2 + 3.000H2O = Al3(Ox)3(OH)3 log_k 16.000 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0 4.000Al+3 - 4.000H+ + 4.000Ox-2 + 4.000H2O = Al4(Ox)4(OH)4 log_k 21.000 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.1E+1 0E+0 0E+0 0E+0 0E+0 1.000Al+3 + 1.000F- = AlF+2 log_k 6.980 #01TAG/SCH delta_h -0.346 #kJ/mol # Enthalpy of formation: -874.096 #kJ/mol -analytic 6.91938E+0 0E+0 1.80728E+1 0E+0 0E+0 1.000Al+3 + 2.000F- = AlF2+ log_k 12.500 #01TAG/SCH delta_h 0.420 #kJ/mol # Enthalpy of formation: -1208.68 #kJ/mol -analytic 1.25736E+1 0E+0 -2.19381E+1 0E+0 0E+0 1.000Al+3 + 3.000F- = AlF3 log_k 16.550 #01TAG/SCH delta_h 0.615 #kJ/mol # Enthalpy of formation: -1543.835 #kJ/mol -analytic 1.66577E+1 0E+0 -3.21236E+1 0E+0 0E+0 1.000Al+3 + 4.000F- = AlF4- log_k 18.930 #01TAG/SCH delta_h 0.823 #kJ/mol # Enthalpy of formation: -1878.977 #kJ/mol -analytic 1.90742E+1 0E+0 -4.29882E+1 0E+0 0E+0 1.000Al+3 - 1.000H+ + 1.000H4(SiO4) = AlH3SiO4+2 log_k -2.380 #01TAG/SCH delta_h 77.389 #kJ/mol # Enthalpy of formation: -1922.205 #kJ/mol -analytic 1.1178E+1 0E+0 -4.0423E+3 0E+0 0E+0 1.000Al+3 - 1.000H+ + 2.000F- + 1.000H2O = AlOHF2 log_k 0.210 delta_h 139.337 #kJ/mol # Enthalpy of formation: -1355.593 #kJ/mol #01TAG/SCH -analytic 2.46208E+1 0E+0 -7.27807E+3 0E+0 0E+0 1.000Am+3 + 1.000Acetate- = Am(Acetate)+2 log_k 2.940 #11RIC/GRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.94E+0 0E+0 0E+0 0E+0 0E+0 1.000Am+3 + 2.000Acetate- = Am(Acetate)2+ log_k 5.070 #69MOS # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.07E+0 0E+0 0E+0 0E+0 0E+0 1.000Am+3 + 3.000Acetate- = Am(Acetate)3 log_k 6.540 #69MOS # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.54E+0 0E+0 0E+0 0E+0 0E+0 1.000Am+3 + 1.000CO3-2 = Am(CO3)+ log_k 7.900 #recalculated from 03GUI/FAN delta_h 158.156 #kJ/mol # Enthalpy of formation: -1133.774 #kJ/mol -analytic 3.56077E+1 0E+0 -8.26105E+3 0E+0 0E+0 1.000Am+3 + 2.000CO3-2 = Am(CO3)2- log_k 12.600 #recalculated from 03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0 1.000Am+3 + 3.000CO3-2 = Am(CO3)3-3 log_k 14.600 #Recalculated from 03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0 1.000Am+3 + 5.000CO3-2 - 0.500H2O + 1.000H+ + 0.250O2 = Am(CO3)5-6 log_k 16.395 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.6395E+1 0E+0 0E+0 0E+0 0E+0 1.000Am+3 + 1.000Cit-3 = Am(Cit) log_k 8.550 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.55E+0 0E+0 0E+0 0E+0 0E+0 1.000Am+3 + 2.000Cit-3 = Am(Cit)2-3 log_k 13.900 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0 1.000Am+3 + 1.000Edta-4 = Am(Edta)- log_k 19.670 #05HUM/AND delta_h -10.600 #kJ/mol # Enthalpy of formation: -2332.1 #kJ/mol -analytic 1.7813E+1 0E+0 5.53676E+2 0E+0 0E+0 1.000Am+3 + 1.000H2(PO4)- = Am(H2PO4)+2 log_k 3.000 #95SIL/BID # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3E+0 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000Am+3 + 1.000CO3-2 = Am(HCO3)+2 log_k 13.430 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.343E+1 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000Am+3 + 1.000Cit-3 = Am(HCit)+ log_k 12.860 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.286E+1 0E+0 0E+0 0E+0 0E+0 2.000H+ + 1.000Am+3 + 2.000Cit-3 = Am(HCit)2- log_k 23.520 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.352E+1 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000Am+3 + 1.000Edta-4 = Am(HEdta) log_k 21.840 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.184E+1 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 1.000Am+3 + 1.000H2(PO4)- = Am(HPO4)+ log_k -1.740 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.74E+0 0E+0 0E+0 0E+0 0E+0 - 2.000H+ + 1.000Am+3 + 2.000H2(PO4)- = Am(HPO4)2- log_k -5.310 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -5.31E+0 0E+0 0E+0 0E+0 0E+0 1.000Am+3 + 1.000NO3- = Am(NO3)+2 log_k 1.330 #95SIL/BID delta_h 1.800 #kJ/mol #09SKE/PAN # Enthalpy of formation: -821.75 #kJ/mol -analytic 1.64535E+0 0E+0 -9.40204E+1 0E+0 0E+0 1.000Am+3 + 1.000Nta-3 = Am(Nta) log_k 13.000 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0 1.000Am+3 + 2.000Nta-3 = Am(Nta)2-3 log_k 22.000 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.2E+1 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 1.000Am+3 + 1.000H2O = Am(OH)+2 log_k -7.200 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE delta_h 78.411 #kJ/mol # Enthalpy of formation: -824.119 #kJ/mol -analytic 6.537E+0 0E+0 -4.09569E+3 0E+0 0E+0 - 2.000H+ + 1.000Am+3 + 2.000H2O = Am(OH)2+ log_k -15.100 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE delta_h 143.704 #kJ/mol # Enthalpy of formation: -1044.656 #kJ/mol -analytic 1.00758E+1 0E+0 -7.50617E+3 0E+0 0E+0 - 3.000H+ + 1.000Am+3 + 3.000H2O = Am(OH)3 log_k -26.200 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE delta_h 230.125 #kJ/mol # Enthalpy of formation: -1244.065 #kJ/mol -analytic 1.41161E+1 0E+0 -1.20202E+4 0E+0 0E+0 - 3.000H+ + 1.000Am+3 + 1.000HGlu- + 3.000H2O = Am(OH)3(HGlu)- log_k -19.700 #05TIT/WIE # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.97E+1 0E+0 0E+0 0E+0 0E+0 - 3.000H+ + 1.000Am+3 + 1.000HIsa- + 3.000H2O = Am(OH)3(HIsa)- log_k -21.500 #05TIT/WIE # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.15E+1 0E+0 0E+0 0E+0 0E+0 - 4.000H+ + 1.000Am+3 + 4.000H2O = Am(OH)4- log_k -40.700 #07NEC/ALT2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.07E+1 0E+0 0E+0 0E+0 0E+0 1.000Am+3 + 1.000Ox-2 = Am(Ox)+ log_k 6.510 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.51E+0 0E+0 0E+0 0E+0 0E+0 1.000Am+3 + 2.000Ox-2 = Am(Ox)2- log_k 10.710 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.071E+1 0E+0 0E+0 0E+0 0E+0 1.000Am+3 + 3.000Ox-2 = Am(Ox)3-3 log_k 13.000 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0 - 4.000H+ + 1.000Am+3 + 2.000H2(PO4)- = Am(PO4)2-3 log_k -19.430 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.943E+1 0E+0 0E+0 0E+0 0E+0 1.000Am+3 + 1.000Phthalat-2 = Am(Phthalat)+ log_k 4.930 #In analogy with Cm # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.93E+0 0E+0 0E+0 0E+0 0E+0 1.000Am+3 + 1.000SO4-2 = Am(SO4)+ log_k 3.450 #12GRI/GAR1 delta_h 15.493 #kJ/mol # Enthalpy of formation: -1510.547 #kJ/mol -analytic 6.16425E+0 0E+0 -8.09255E+2 0E+0 0E+0 1.000Am+3 + 2.000SO4-2 = Am(SO4)2- log_k 4.570 #12GRI/GAR1 delta_h 20.927 #kJ/mol # Enthalpy of formation: -2414.453 #kJ/mol -analytic 8.23625E+0 0E+0 -1.09309E+3 0E+0 0E+0 1.000Am+3 + 1.000Cl- = AmCl+2 log_k 0.240 #97K¿N/FAN delta_h 25.106 #kJ/mol # Enthalpy of formation: -758.674 #kJ/mol -analytic 4.63838E+0 0E+0 -1.31138E+3 0E+0 0E+0 1.000Am+3 + 2.000Cl- = AmCl2+ log_k -0.740 #97K¿N/FAN delta_h 40.568 #kJ/mol # Enthalpy of formation: -910.292 #kJ/mol -analytic 6.3672E+0 0E+0 -2.11901E+3 0E+0 0E+0 1.000Am+3 + 1.000F- = AmF+2 log_k 3.400 #03GUI/FAN delta_h 27.134 #kJ/mol # Enthalpy of formation: -924.916 #kJ/mol -analytic 8.15367E+0 0E+0 -1.41731E+3 0E+0 0E+0 1.000Am+3 + 2.000F- = AmF2+ log_k 5.800 #95SIL/BID delta_h 22.320 #kJ/mol # Enthalpy of formation: -1265.08 #kJ/mol -analytic 9.71029E+0 0E+0 -1.16585E+3 0E+0 0E+0 1.000Am+3 + 3.000F- = AmF3 log_k 10.820 #69AZI/LYL delta_h -12.119 #kJ/mol # Enthalpy of formation: -1634.869 #kJ/mol -analytic 8.69685E+0 0E+0 6.33019E+2 0E+0 0E+0 1.000AmO2+ + 1.000CO3-2 = AmO2(CO3)- log_k 5.100 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.1E+0 0E+0 0E+0 0E+0 0E+0 1.000AmO2+ + 2.000CO3-2 = AmO2(CO3)2-3 log_k 6.700 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.7E+0 0E+0 0E+0 0E+0 0E+0 1.000AmO2+ + 3.000CO3-2 = AmO2(CO3)3-5 log_k 5.100 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.1E+0 0E+0 0E+0 0E+0 0E+0 - 2.000H+ + 1.000AmO2+ + 2.000H2O = AmO2(OH)2- log_k -23.600 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.36E+1 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 1.000AmO2+ + 1.000H2O = AmO2OH log_k -11.300 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.13E+1 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 1.000Am+3 + 1.000H4(SiO4) = AmOSi(OH)3+2 log_k -2.310 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.31E+0 0E+0 0E+0 0E+0 0E+0 - 2.000H+ + 1.000Am+3 + 1.000H2(PO4)- = AmPO4 log_k -7.760 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -7.76E+0 0E+0 0E+0 0E+0 0E+0 - 3.000H+ + 1.000H3(AsO3) = AsO3-3 log_k -38.590 #79IVA/VOR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.859E+1 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000B(OH)4- - 1.000H2O = B(OH)3 log_k 9.240 delta_h -13.514 #kJ/mol # Enthalpy of formation: -1072.8 #kJ/mol #01LEM/FUG -analytic 6.87245E+0 0E+0 7.05884E+2 0E+0 0E+0 2.000H+ + 3.000B(OH)4- - 7.000H2O = B3O5- log_k 20.900 #97CRO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.09E+1 0E+0 0E+0 0E+0 0E+0 2.000H+ + 4.000B(OH)4- - 9.000H2O = B4O7-2 log_k 21.900 #97CRO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.19E+1 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000F- + 1.000B(OH)4- - 1.000H2O = BF(OH)3- log_k 8.940 #77NOR/JEN delta_h -39.078 #kJ/mol #77NOR/JEN # Enthalpy of formation: -1433.714 #kJ/mol -analytic 2.09384E+0 0E+0 2.04118E+3 0E+0 0E+0 2.000H+ + 2.000F- + 1.000B(OH)4- - 2.000H2O = BF2(OH)2- log_k 16.970 #77NOR/JEN delta_h -38.702 #kJ/mol #77NOR/JEN # Enthalpy of formation: -1482.858 #kJ/mol -analytic 1.01897E+1 0E+0 2.02154E+3 0E+0 0E+0 3.000H+ + 3.000F- + 1.000B(OH)4- - 3.000H2O = BF3(OH)- log_k 23.010 #77NOR/JEN delta_h -38.326 #kJ/mol #77NOR/JEN # Enthalpy of formation: -1532.002 #kJ/mol -analytic 1.62956E+1 0E+0 2.0019E+3 0E+0 0E+0 4.000H+ + 4.000F- + 1.000B(OH)4- - 4.000H2O = BF4- log_k 29.620 #77NOR/JEN delta_h 73.680 #kJ/mol #77NOR/JEN # Enthalpy of formation: -1616.876 #kJ/mol -analytic 4.25282E+1 0E+0 -3.84857E+3 0E+0 0E+0 1.000Ba+2 + 1.000CO3-2 = Ba(CO3) log_k 2.710 #86BUS/PLU delta_h 14.841 #kJ/mol #86BUS/PLU # Enthalpy of formation: -1195.189 #kJ/mol -analytic 5.31003E+0 0E+0 -7.75198E+2 0E+0 0E+0 1.000Ba+2 + 1.000H+ + 1.000CO3-2 = Ba(HCO3)+ log_k 11.310 #86BUS/PLU delta_h 8.560 #kJ/mol #86BUS/PLU # Enthalpy of formation: -1201.47 #kJ/mol -analytic 1.28096E+1 0E+0 -4.47119E+2 0E+0 0E+0 1.000Ba+2 + 1.000NO3- = Ba(NO3)+ log_k -0.310 delta_h 6.819 #kJ/mol # Enthalpy of formation: -734.831 #kJ/mol -analytic 8.84636E-1 0E+0 -3.56181E+2 0E+0 0E+0 1.000Ba+2 - 1.000H+ + 1.000H2O = Ba(OH)+ log_k -13.470 #76BAE/MES delta_h 87.395 #kJ/mol # Enthalpy of formation: -733.235 #kJ/mol -analytic 1.84092E+0 0E+0 -4.56495E+3 0E+0 0E+0 1.000Ba+2 + 1.000SO4-2 = Ba(SO4) log_k 2.700 #76SMI/MAR delta_h 7.367 #kJ/mol # Enthalpy of formation: -1436.773 #kJ/mol -analytic 3.99064E+0 0E+0 -3.84805E+2 0E+0 0E+0 1.000Ba+2 + 1.000B(OH)4- = BaB(OH)4+ log_k 1.490 #80BAS # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.49E+0 0E+0 0E+0 0E+0 0E+0 1.000Ba+2 + 1.000F- = BaF+ log_k 0.400 delta_h 6.697 #kJ/mol # Enthalpy of formation: -863.452 #kJ/mol #97SVE/SHO -analytic 1.57326E+0 0E+0 -3.49808E+2 0E+0 0E+0 2.000H+ + 1.000CO3-2 - 1.000H2O - 0.500O2 = CO log_k -31.390 delta_h 262.373 #kJ/mol # Enthalpy of formation: -120.96 #kJ/mol #82WAG/EVA -analytic 1.45757E+1 0E+0 -1.37047E+4 0E+0 0E+0 2.000H+ + 1.000CO3-2 - 1.000H2O = CO2 log_k 16.680 delta_h -23.860 #kJ/mol # Enthalpy of formation: -413.26 #kJ/mol #89COX/WAG -analytic 1.24999E+1 0E+0 1.24629E+3 0E+0 0E+0 1.000Ca+2 + 1.000Acetate- = Ca(Acetate)+ log_k 1.120 #95DER/DIG delta_h -19.338 #kJ/mol # Enthalpy of formation: -1048.348 #kJ/mol -analytic -2.26787E+0 0E+0 1.01009E+3 0E+0 0E+0 1.000Ca+2 + 1.000Adipate-2 = Ca(Adipate) log_k 2.190 #04MAR/SMI from 40TOP/DAV # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.19E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 - 3.000H+ + 1.000Am+3 + 3.000H2O = Ca(Am(OH)3)+2 log_k -26.300 #07RAB/ALT # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000AsO4-3 = Ca(AsO4)- log_k 5.770 #10MAR/ACC # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.77E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000Cit-3 = Ca(Cit)- log_k 4.800 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: -2062.92 #kJ/mol -analytic 4.8E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 - 3.000H+ + 1.000Cm+3 + 3.000H2O = Ca(Cm(OH)3)+2 log_k -26.300 #07RAB/ALT # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000Edta-4 = Ca(Edta)-2 log_k 12.690 #05HUM/AND delta_h -22.200 #kJ/mol # Enthalpy of formation: -2270 #kJ/mol -analytic 8.80073E+0 0E+0 1.15959E+3 0E+0 0E+0 1.000Ca+2 + 1.000Eu+3 - 3.000H+ + 3.000H2O = Ca(Eu(OH)3)+2 log_k -26.300 #07RAB/ALT # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 2.000H+ + 1.000AsO4-3 = Ca(H2AsO4)+ log_k 19.870 #10MAR/ACC # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.987E+1 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 2.000H+ + 1.000Cit-3 = Ca(H2Cit)+ log_k 12.670 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.267E+1 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000H2(PO4)- = Ca(H2PO4)+ log_k 1.410 #68CHU/MAR delta_h 14.226 #kJ/mol #68CHU/MAR # Enthalpy of formation: -1831.374 #kJ/mol -analytic 3.90228E+0 0E+0 -7.43075E+2 0E+0 0E+0 1.000Ca+2 - 1.000H+ + 1.000H4(SiO4) = Ca(H3SiO4)+ log_k -8.830 #97SVE/SHO delta_h 31.633 #kJ/mol # Enthalpy of formation: -1972.561 #kJ/mol -analytic -3.28814E+0 0E+0 -1.6523E+3 0E+0 0E+0 1.000Ca+2 + 1.000H+ + 1.000AsO4-3 = Ca(HAsO4) log_k 13.900 #10MAR/ACC # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000H+ + 1.000CO3-2 = Ca(HCO3)+ log_k 11.430 #96BOU1 delta_h -23.597 #kJ/mol # Enthalpy of formation: -1241.827 #kJ/mol -analytic 7.29599E+0 0E+0 1.23256E+3 0E+0 0E+0 1.000Ca+2 + 1.000H+ + 1.000Cit-3 = Ca(HCit) log_k 9.280 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.28E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000H+ + 1.000Edta-4 = Ca(HEdta)- log_k 16.230 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.623E+1 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000HGlu- = Ca(HGlu)+ log_k 1.730 #52SCH/LIN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.73E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000HIsa- = Ca(HIsa)+ log_k 1.700 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.7E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000H+ + 1.000Malonate-2 = Ca(HMalonate)+ log_k 6.640 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.64E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000H+ + 1.000Nta-3 = Ca(HNta) log_k 13.400 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 2.000H+ + 2.000Nta-3 = Ca(HNta)2-2 log_k 23.630 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.363E+1 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 - 1.000H+ + 1.000H2(PO4)- = Ca(HPO4) log_k -4.470 #68CHU/MAR delta_h 17.407 #kJ/mol #68CHU/MAR # Enthalpy of formation: -1828.193 #kJ/mol -analytic -1.42043E+0 0E+0 -9.0923E+2 0E+0 0E+0 1.000Ca+2 + 1.000H+ + 1.000Phthalat-2 = Ca(HPhthalat)+ log_k 6.420 #85DAN/DER # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.42E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000H+ + 1.000Pyrophos-4 = Ca(HPyrophos)- log_k 13.800 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000H+ + 1.000Succinat-2 = Ca(HSuccinat)+ log_k 6.790 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 - 3.000H+ + 1.000Ho+3 + 3.000H2O = Ca(Ho(OH)3)+2 log_k -26.300 #07RAB/ALT # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000IO3- = Ca(IO3)+ log_k 0.400 #estimation NEA87 08/2/95 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4E-1 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 - 1.000H+ + 1.000HIsa- = Ca(Isa) log_k -10.400 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000Malonate-2 = Ca(Malonate) log_k 2.430 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.43E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000NH3 = Ca(NH3)+2 log_k -0.100 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1E-1 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 2.000NH3 = Ca(NH3)2+2 log_k -0.700 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -7E-1 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 3.000NH3 = Ca(NH3)3+2 log_k -1.500 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 4.000NH3 = Ca(NH3)4+2 log_k -2.600 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.6E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000Nta-3 = Ca(Nta)- log_k 7.730 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 7.73E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 - 1.000H+ + 1.000HGlu- + 1.000H2O = Ca(OH)(HGlu) log_k -10.400 #02TIT/WIE # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 - 1.000H+ + 1.000H2O = Ca(OH)+ log_k -12.780 #87GAR/PAR delta_h 77.206 #kJ/mol # Enthalpy of formation: -751.624 #kJ/mol -analytic 7.45891E-1 0E+0 -4.03274E+3 0E+0 0E+0 1.000Ca+2 + 1.000Ox-2 = Ca(Ox) log_k 3.190 #05HUM/AND delta_h 6.807 #kJ/mol # Enthalpy of formation: -1366.853 #kJ/mol -analytic 4.38253E+0 0E+0 -3.55554E+2 0E+0 0E+0 1.000Ca+2 + 2.000Ox-2 = Ca(Ox)2-2 log_k 4.020 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.02E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 - 2.000H+ + 1.000H2(PO4)- = Ca(PO4)- log_k -13.100 #68CHU/MAR delta_h 31.170 #kJ/mol # Enthalpy of formation: -1814.43 #kJ/mol -analytic -7.63926E+0 0E+0 -1.62812E+3 0E+0 0E+0 1.000Ca+2 + 1.000Phthalat-2 = Ca(Phthalat) log_k 2.490 #85DAN/DER # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.49E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000Pyrophos-4 = Ca(Pyrophos)-2 log_k 7.500 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000S2O3-2 = Ca(S2O3) log_k 1.900 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de Hatches3.0) # delta_h 0.000 #kJ/mol # Enthalpy of formation: -1191.5 #kJ/mol -analytic 1.9E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000SO4-2 = Ca(SO4) log_k 2.310 #53BEL/GEO delta_h 4.292 #kJ/mol # Enthalpy of formation: -1448.048 #kJ/mol -analytic 3.06193E+0 0E+0 -2.24186E+2 0E+0 0E+0 1.000Ca+2 + 1.000SeO4-2 = Ca(SeO4) log_k 2.000 #05OLI/NOL delta_h 1.475 #kJ/mol # Enthalpy of formation: -1145.025 #kJ/mol -analytic 2.25841E+0 0E+0 -7.70445E+1 0E+0 0E+0 1.000Ca+2 + 1.000Sm+3 - 3.000H+ + 3.000H2O = Ca(Sm(OH)3)+2 log_k -26.300 #07RAB/ALT # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000Succinat-2 = Ca(Succinat) log_k 2.340 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.34E+0 0E+0 0E+0 0E+0 0E+0 2.000Ca+2 - 4.000H+ + 1.000Am+3 + 4.000H2O = Ca2(Am(OH)4)+3 log_k -37.200 #07RAB/ALT # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0 2.000Ca+2 - 4.000H+ + 1.000Cm+3 + 4.000H2O = Ca2(Cm(OH)4)+3 log_k -37.200 #07RAB/ALT # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0 2.000Ca+2 + 1.000Eu+3 - 4.000H+ + 4.000H2O = Ca2(Eu(OH)4)+3 log_k -37.200 #07RAB/ALT # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0 2.000Ca+2 - 4.000H+ + 1.000Ho+3 + 4.000H2O = Ca2(Ho(OH)4)+3 log_k -37.200 #07RAB/ALT # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0 2.000Ca+2 + 1.000Sm+3 - 4.000H+ + 4.000H2O = Ca2(Sm(OH)4)+3 log_k -37.200 #07RAB/ALT # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0 2.000Ca+2 + 3.000CO3-2 + 1.000UO2+2 = Ca2UO2(CO3)3 log_k 30.700 #06DON/BRO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.07E+1 0E+0 0E+0 0E+0 0E+0 3.000Ca+2 - 6.000H+ + 1.000Am+3 + 6.000H2O = Ca3(Am(OH)6)+3 log_k -60.700 #07RAB/ALT # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0 3.000Ca+2 - 6.000H+ + 1.000Cm+3 + 6.000H2O = Ca3(Cm(OH)6)+3 log_k -60.700 #07RAB/ALT # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0 3.000Ca+2 + 1.000Eu+3 - 6.000H+ + 6.000H2O = Ca3(Eu(OH)6)+3 log_k -60.700 #07RAB/ALT # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0 3.000Ca+2 - 6.000H+ + 1.000Ho+3 + 6.000H2O = Ca3(Ho(OH)6)+3 log_k -60.700 #07RAB/ALT # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0 3.000Ca+2 + 1.000Sm+3 - 6.000H+ + 6.000H2O = Ca3(Sm(OH)6)+3 log_k -60.700 #07RAB/ALT # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0 4.000Ca+2 + 1.000Th+4 - 8.000H+ + 8.000H2O = Ca4Th(OH)8+4 log_k -63.100 #08ALT/NEC # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6.31E+1 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000B(OH)4- = CaB(OH)4+ log_k 1.800 #97CRO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000CO3-2 = CaCO3 log_k 3.220 #96BOU1 delta_h 14.830 #kJ/mol # Enthalpy of formation: -1203.4 #kJ/mol #96BOU1 -analytic 5.8181E+0 0E+0 -7.74624E+2 0E+0 0E+0 1.000Ca+2 + 1.000CrO4-2 = CaCrO4 log_k 2.770 #00PER/PAL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.77E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000F- = CaF+ log_k 0.940 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; S¿lection de donn¿es thermodynamiques aff¿rentes aux corrections de Temp¿rature sur les principaux ¿quilibres chimiques en milieu naturel delta_h 17.238 #kJ/mol # Enthalpy of formation: -861.112 #kJ/mol -analytic 3.95996E+0 0E+0 -9.00402E+2 0E+0 0E+0 1.000Ca+2 + 1.000I- = CaI+ log_k 0.140 #estimation NEA87 08/2/95 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.4E-1 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 2.000I- = CaI2 log_k -0.020 #estimation NEA87 08/2/95 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2E-2 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000Th+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = CaTh(OH)4(HGlu)+ log_k -9.000 #13COL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -9E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000Th+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = CaTh(OH)4(HIsa)+ log_k -9.000 #13COL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -9E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000UO2+2 + 3.000CO3-2 = CaUO2(CO3)3-2 log_k 27.180 #06DON/BRO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.718E+1 0E+0 0E+0 0E+0 0E+0 1.000Cd+2 + 1.000CO3-2 = Cd(CO3) log_k 4.700 #91RAI/FEL1 delta_h 4.299 #kJ/mol # Enthalpy of formation: -746.851 #kJ/mol -analytic 5.45315E+0 0E+0 -2.24552E+2 0E+0 0E+0 1.000Cd+2 + 2.000CO3-2 = Cd(CO3)2-2 log_k 6.500 #91RAI/FEL1 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0 1.000Cd+2 + 1.000Cn- = Cd(Cn)+ log_k 5.300 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.3E+0 0E+0 0E+0 0E+0 0E+0 1.000Cd+2 + 2.000Cn- = Cd(Cn)2 log_k 10.340 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.034E+1 0E+0 0E+0 0E+0 0E+0 1.000Cd+2 + 3.000Cn- = Cd(Cn)3- log_k 14.810 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.481E+1 0E+0 0E+0 0E+0 0E+0 1.000Cd+2 + 4.000Cn- = Cd(Cn)4-2 log_k 18.250 delta_h -98.480 #kJ/mol # Enthalpy of formation: 428.096 #kJ/mol -analytic 9.9707E-1 0E+0 5.14396E+3 0E+0 0E+0 1.000Cd+2 + 1.000H2(PO4)- = Cd(H2PO4)+ log_k 1.800 #01AYA/MAD # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0 1.000Cd+2 + 1.000H+ + 1.000CO3-2 = Cd(HCO3)+ log_k 11.830 #93STI/PAR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.183E+1 0E+0 0E+0 0E+0 0E+0 1.000Cd+2 + 2.000HS- = Cd(HS)2 log_k 14.430 #99WAN/TES # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.443E+1 0E+0 0E+0 0E+0 0E+0 1.000Cd+2 + 1.000NH3 = Cd(NH3)+2 log_k 2.520 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.52E+0 0E+0 0E+0 0E+0 0E+0 1.000Cd+2 + 2.000NH3 = Cd(NH3)2+2 log_k 4.870 delta_h -27.965 #kJ/mol # Enthalpy of formation: -266.225 #kJ/mol -analytic -2.92505E-2 0E+0 1.46071E+3 0E+0 0E+0 1.000Cd+2 + 3.000NH3 = Cd(NH3)3+2 log_k 5.930 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0 1.000Cd+2 + 4.000NH3 = Cd(NH3)4+2 log_k 7.300 delta_h -49.714 #kJ/mol # Enthalpy of formation: -450.314 #kJ/mol -analytic -1.40951E+0 0E+0 2.59674E+3 0E+0 0E+0 1.000Cd+2 + 1.000NO3- = Cd(NO3)+ log_k 0.460 #74FED/ROB in 82H¿G delta_h -21.757 #kJ/mol #74NAU/RYZ in 91BAL/NOR # Enthalpy of formation: -304.527 #kJ/mol -analytic -3.35166E+0 0E+0 1.13645E+3 0E+0 0E+0 1.000Cd+2 + 2.000NO3- = Cd(NO3)2 log_k 0.170 #97CRO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.7E-1 0E+0 0E+0 0E+0 0E+0 1.000Cd+2 - 1.000H+ + 1.000H2O = Cd(OH)+ log_k -10.080 #81BAE/MES delta_h 54.810 #kJ/mol #81BAE/MES # Enthalpy of formation: -306.94 #kJ/mol -analytic -4.77714E-1 0E+0 -2.86292E+3 0E+0 0E+0 1.000Cd+2 - 2.000H+ + 2.000H2O = Cd(OH)2 log_k -20.900 #91RAI/FEL1 delta_h 114.900 #kJ/mol # Enthalpy of formation: -532.68 #kJ/mol -analytic -7.70414E-1 0E+0 -6.00164E+3 0E+0 0E+0 1.000Cd+2 - 3.000H+ + 3.000H2O = Cd(OH)3- log_k -33.300 #81BAE/MES delta_h 156.416 #kJ/mol # Enthalpy of formation: -776.994 #kJ/mol -analytic -5.89713E+0 0E+0 -8.17016E+3 0E+0 0E+0 1.000Cd+2 - 4.000H+ + 4.000H2O = Cd(OH)4-2 log_k -47.480 #91RAI/FEL1 delta_h 229.571 #kJ/mol # Enthalpy of formation: -989.669 #kJ/mol -analytic -7.26095E+0 0E+0 -1.19913E+4 0E+0 0E+0 1.000Cd+2 + 1.000Pyrophos-4 = Cd(Pyrophos)-2 log_k 8.700 #92CLE/DER # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.7E+0 0E+0 0E+0 0E+0 0E+0 1.000Cd+2 + 1.000S2O3-2 = Cd(S2O3) log_k 2.460 delta_h 5.405 #kJ/mol # Enthalpy of formation: -722.801 #kJ/mol #74NAU/RYZ -analytic 3.40691E+0 0E+0 -2.82322E+2 0E+0 0E+0 1.000Cd+2 + 1.000SO4-2 = Cd(SO4) log_k 2.370 #97MAR/SMI delta_h 8.700 #kJ/mol #97MAR/SMI # Enthalpy of formation: -976.56 #kJ/mol -analytic 3.89417E+0 0E+0 -4.54432E+2 0E+0 0E+0 1.000Cd+2 + 2.000SO4-2 = Cd(SO4)2-2 log_k 3.440 #76SMI/MAR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.44E+0 0E+0 0E+0 0E+0 0E+0 1.000Cd+2 + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = Cd(SeCn)+ log_k 58.260 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.826E+1 0E+0 0E+0 0E+0 0E+0 1.000Cd+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 = Cd(SeCn)2 log_k 115.370 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.1537E+2 0E+0 0E+0 0E+0 0E+0 1.000Cd+2 + 3.000H+ + 3.000Cn- + 3.000HSe- - 3.000H2O + 1.500O2 = Cd(SeCn)3- log_k 171.860 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.7186E+2 0E+0 0E+0 0E+0 0E+0 1.000Cd+2 + 4.000H+ + 4.000Cn- + 4.000HSe- - 4.000H2O + 2.000O2 = Cd(SeCn)4-2 log_k 228.670 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.2867E+2 0E+0 0E+0 0E+0 0E+0 1.000Cd+2 + 1.000SeO4-2 = Cd(SeO4) log_k 2.270 #05OLI/NOL delta_h 8.300 #kJ/mol #05OLI/NOL # Enthalpy of formation: -671.12 #kJ/mol -analytic 3.7241E+0 0E+0 -4.33539E+2 0E+0 0E+0 4.000Cd+2 - 4.000H+ + 4.000H2O = Cd4(OH)4+4 log_k -32.070 delta_h 172.135 #kJ/mol # Enthalpy of formation: -1274.865 #kJ/mol #99YUN/GLU -analytic -1.91329E+0 0E+0 -8.99122E+3 0E+0 0E+0 1.000Cd+2 + 1.000Br- = CdBr+ log_k 2.160 delta_h -7.959 #kJ/mol # Enthalpy of formation: -205.289 #kJ/mol -analytic 7.65645E-1 0E+0 4.15727E+2 0E+0 0E+0 1.000Cd+2 + 2.000Br- = CdBr2 log_k 2.920 delta_h -15.742 #kJ/mol # Enthalpy of formation: -334.482 #kJ/mol -analytic 1.62124E-1 0E+0 8.22261E+2 0E+0 0E+0 1.000Cd+2 + 3.000Br- = CdBr3- log_k 3.190 delta_h -28.845 #kJ/mol # Enthalpy of formation: -468.995 #kJ/mol -analytic -1.86342E+0 0E+0 1.50668E+3 0E+0 0E+0 1.000Cd+2 + 1.000Cl- = CdCl+ log_k 1.970 #76BAE/MES delta_h -5.520 #kJ/mol # Enthalpy of formation: -248.52 #kJ/mol -analytic 1.00294E+0 0E+0 2.88329E+2 0E+0 0E+0 1.000Cd+2 + 2.000Cl- = CdCl2 log_k 2.590 #76BAE/MES delta_h -14.068 #kJ/mol # Enthalpy of formation: -424.148 #kJ/mol -analytic 1.25396E-1 0E+0 7.34822E+2 0E+0 0E+0 1.000Cd+2 + 3.000Cl- = CdCl3- log_k 2.400 #76BAE/MES delta_h -25.804 #kJ/mol # Enthalpy of formation: -602.964 #kJ/mol -analytic -2.12066E+0 0E+0 1.34783E+3 0E+0 0E+0 1.000Cd+2 + 4.000Cl- = CdCl4-2 log_k 1.470 #76BAE/MES delta_h -44.765 #kJ/mol # Enthalpy of formation: -789.005 #kJ/mol -analytic -6.37248E+0 0E+0 2.33824E+3 0E+0 0E+0 1.000Cd+2 - 1.000H+ + 1.000H2(PO4)- = CdHPO4 log_k -2.380 #01AYA/MAD # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.38E+0 0E+0 0E+0 0E+0 0E+0 1.000Cd+2 + 1.000HS- = CdHS+ log_k 7.380 #99WAN/TES # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 7.38E+0 0E+0 0E+0 0E+0 0E+0 1.000Cd+2 + 1.000I- = CdI+ log_k 2.090 delta_h -8.739 #kJ/mol # Enthalpy of formation: -141.439 #kJ/mol -analytic 5.58995E-1 0E+0 4.56469E+2 0E+0 0E+0 1.000Cd+2 + 2.000I- = CdI2 log_k 3.520 delta_h -18.988 #kJ/mol # Enthalpy of formation: -208.468 #kJ/mol -analytic 1.9345E-1 0E+0 9.91811E+2 0E+0 0E+0 1.000Cd+2 + 3.000I- = CdI3- log_k 4.640 delta_h -38.647 #kJ/mol # Enthalpy of formation: -284.907 #kJ/mol -analytic -2.13065E+0 0E+0 2.01867E+3 0E+0 0E+0 1.000Cd+2 + 4.000I- = CdI4-2 log_k 5.480 delta_h -75.609 #kJ/mol # Enthalpy of formation: -378.649 #kJ/mol -analytic -7.76611E+0 0E+0 3.94933E+3 0E+0 0E+0 2.000Cl- - 1.000H2O + 2.000H+ + 0.500O2 = Cl2 log_k -4.220 delta_h 30.997 #kJ/mol # Enthalpy of formation: -23.4 #kJ/mol #82WAG/EVA -analytic 1.21043E+0 0E+0 -1.61908E+3 0E+0 0E+0 1.000Cl- + 2.000O2 = ClO4- log_k -16.130 delta_h 63.248 #kJ/mol # Enthalpy of formation: -128.1 #kJ/mol #89COX/WAG -analytic -5.04944E+0 0E+0 -3.30367E+3 0E+0 0E+0 1.000Cm+3 + 1.000Acetate- = Cm(Acetate)+2 log_k 3.010 #11RIC/GRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.01E+0 0E+0 0E+0 0E+0 0E+0 1.000Cm+3 + 2.000Acetate- = Cm(Acetate)2+ log_k 4.960 #12GRI/GAR2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.96E+0 0E+0 0E+0 0E+0 0E+0 1.000Cm+3 + 3.000Acetate- = Cm(Acetate)3 log_k 6.300 #69MOS # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.3E+0 0E+0 0E+0 0E+0 0E+0 2.000CO3-2 + 1.000Cm+3 = Cm(CO3)2- log_k 12.600 #06DUR/CER # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0 3.000CO3-2 + 1.000Cm+3 = Cm(CO3)3-3 log_k 14.600 #06DUR/CER # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0 1.000H2(PO4)- + 1.000Cm+3 = Cm(H2PO4)+2 log_k 2.400 #estimated by correlation with Ln(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 1.000H2(PO4)- + 1.000Cm+3 = Cm(HPO4)+ log_k -1.700 #estimated by correlation with Ln(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.7E+0 0E+0 0E+0 0E+0 0E+0 - 2.000H+ + 2.000H2(PO4)- + 1.000Cm+3 = Cm(HPO4)2- log_k -5.210 #estimated by correlation with Ln(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -5.21E+0 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 1.000Cm+3 + 1.000H2O = Cm(OH)+2 log_k -7.200 #03GUI/FAN delta_h 79.365 #kJ/mol # Enthalpy of formation: -821.465 #kJ/mol -analytic 6.70413E+0 0E+0 -4.14552E+3 0E+0 0E+0 - 2.000H+ + 1.000Cm+3 + 2.000H2O = Cm(OH)2+ log_k -15.100 #03GUI/FAN delta_h 144.956 #kJ/mol # Enthalpy of formation: -1041.704 #kJ/mol -analytic 1.02952E+1 0E+0 -7.57157E+3 0E+0 0E+0 - 3.000H+ + 1.000Cm+3 + 3.000H2O = Cm(OH)3 log_k -26.200 #03GUI/FAN delta_h 231.675 #kJ/mol # Enthalpy of formation: -1240.815 #kJ/mol -analytic 1.43877E+1 0E+0 -1.21012E+4 0E+0 0E+0 - 4.000H+ + 1.000Cm+3 + 4.000H2O = Cm(OH)4- log_k -40.700 #07NEC/ALT2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.07E+1 0E+0 0E+0 0E+0 0E+0 1.000Ox-2 + 1.000Cm+3 = Cm(Ox)+ log_k 6.480 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.48E+0 0E+0 0E+0 0E+0 0E+0 2.000Ox-2 + 1.000Cm+3 = Cm(Ox)2- log_k 10.400 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.04E+1 0E+0 0E+0 0E+0 0E+0 3.000Ox-2 + 1.000Cm+3 = Cm(Ox)3-3 log_k 12.840 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.284E+1 0E+0 0E+0 0E+0 0E+0 - 4.000H+ + 2.000H2(PO4)- + 1.000Cm+3 = Cm(PO4)2-3 log_k -19.230 #estimated by corrlation with Ln(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.923E+1 0E+0 0E+0 0E+0 0E+0 1.000Cm+3 + 1.000Phthalat-2 = Cm(Phthalat)+ log_k 4.930 #11GRI/COL3 from 95PAN/KLE # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.93E+0 0E+0 0E+0 0E+0 0E+0 2.000SO4-2 + 1.000Cm+3 = Cm(SO4)2- log_k 4.570 #12SKE/PAN, same as Am, revised in the 2012 update. delta_h 20.880 #kJ/mol # Enthalpy of formation: -2412.8 #kJ/mol #estimated by analogy with Ln -analytic 8.22801E+0 0E+0 -1.09064E+3 0E+0 0E+0 1.000CO3-2 + 1.000Cm+3 = CmCO3+ log_k 7.900 #06DUR/CER delta_h 153.982 #kJ/mol # Enthalpy of formation: -1136.248 #kJ/mol -analytic 3.48764E+1 0E+0 -8.04303E+3 0E+0 0E+0 1.000Cl- + 1.000Cm+3 = CmCl+2 log_k 0.240 #03GUI/FAN, same as Am delta_h 22.512 #kJ/mol # Enthalpy of formation: -759.568 #kJ/mol -analytic 4.18393E+0 0E+0 -1.17588E+3 0E+0 0E+0 2.000Cl- + 1.000Cm+3 = CmCl2+ log_k -0.740 #03GUI/FAN, same as Am delta_h 41.165 #kJ/mol # Enthalpy of formation: -907.995 #kJ/mol -analytic 6.47179E+0 0E+0 -2.15019E+3 0E+0 0E+0 1.000F- + 1.000Cm+3 = CmF+2 log_k 3.400 #03GUI/FAN, same as Am delta_h 25.613 #kJ/mol # Enthalpy of formation: -924.737 #kJ/mol -analytic 7.8872E+0 0E+0 -1.33786E+3 0E+0 0E+0 2.000F- + 1.000Cm+3 = CmF2+ log_k 5.800 #03GUI/FAN, same as Am delta_h 20.620 #kJ/mol # Enthalpy of formation: -1265.08 #kJ/mol -analytic 9.41246E+0 0E+0 -1.07706E+3 0E+0 0E+0 3.000F- + 1.000Cm+3 = CmF3 log_k 11.180 #69AZI/LYL delta_h -15.485 #kJ/mol # Enthalpy of formation: -1636.535 #kJ/mol -analytic 8.46715E+0 0E+0 8.08837E+2 0E+0 0E+0 1.000H+ + 1.000CO3-2 + 1.000Cm+3 = CmHCO3+2 log_k 13.430 #03GUI/FAN, same as Am # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.343E+1 0E+0 0E+0 0E+0 0E+0 1.000NO3- + 1.000Cm+3 = CmNO3+2 log_k 1.330 #95SIL/BID delta_h 1.800 #kJ/mol #09SKE/PAN # Enthalpy of formation: -819.926 #kJ/mol -analytic 1.64535E+0 0E+0 -9.40204E+1 0E+0 0E+0 - 2.000H+ + 1.000H2(PO4)- + 1.000Cm+3 = CmPO4 log_k -7.660 #estimated by correlation with Ln(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -7.66E+0 0E+0 0E+0 0E+0 0E+0 1.000SO4-2 + 1.000Cm+3 = CmSO4+ log_k 3.450 #12SKE/PAN, same as Am, revised in the 2012 update. delta_h 15.640 #kJ/mol # Enthalpy of formation: -1508.7 #kJ/mol #estimated by analogy with Ln -analytic 6.19001E+0 0E+0 -8.16933E+2 0E+0 0E+0 - 1.000H+ + 1.000H4(SiO4) + 1.000Cm+3 = CmSiO(OH)3+2 log_k -2.310 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.31E+0 0E+0 0E+0 0E+0 0E+0 1.000Co+2 + 2.000HS- = Co(HS)2 log_k 8.770 #66KHO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.77E+0 0E+0 0E+0 0E+0 0E+0 1.000Co+2 - 1.000H+ + 1.000H2O = Co(OH)+ log_k -9.230 #98PLY/ZHA1 delta_h 45.962 #kJ/mol # Enthalpy of formation: -297.468 #kJ/mol -analytic -1.17782E+0 0E+0 -2.40076E+3 0E+0 0E+0 1.000Co+2 - 2.000H+ + 2.000H2O = Co(OH)2 log_k -18.600 #98PLY/ZHA1 delta_h 105.707 #kJ/mol # Enthalpy of formation: -523.553 #kJ/mol -analytic -8.09557E-2 0E+0 -5.52145E+3 0E+0 0E+0 1.000Co+2 - 3.000H+ + 3.000H2O = Co(OH)3- log_k -31.700 #98PLY/ZHA1 delta_h 160.297 #kJ/mol # Enthalpy of formation: -754.792 #kJ/mol -analytic -3.61721E+0 0E+0 -8.37288E+3 0E+0 0E+0 1.000Co+2 - 4.000H+ + 4.000H2O = Co(OH)4-2 log_k -46.420 #98PLY/ZHA1 delta_h 214.483 #kJ/mol # Enthalpy of formation: -986.436 #kJ/mol -analytic -8.84425E+0 0E+0 -1.12032E+4 0E+0 0E+0 1.000Co+2 + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = Co(SeCn)+ log_k 57.520 #75SAT/SAH # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.752E+1 0E+0 0E+0 0E+0 0E+0 1.000Co+2 + 1.000SeO4-2 = Co(SeO4) log_k 2.700 #05OLI/NOL delta_h -3.654 #kJ/mol # Enthalpy of formation: -664.754 #kJ/mol -analytic 2.05985E+0 0E+0 1.90861E+2 0E+0 0E+0 2.000Co+2 - 1.000H+ + 1.000H2O = Co2(OH)+3 log_k -9.830 #98PLY/ZHA1 delta_h 30.030 #kJ/mol # Enthalpy of formation: -371 #kJ/mol #98PLY/ZHA1 -analytic -4.56898E+0 0E+0 -1.56857E+3 0E+0 0E+0 4.000Co+2 - 4.000H+ + 4.000H2O = Co4(OH)4+4 log_k -29.880 #98PLY/ZHA1 delta_h 149.720 #kJ/mol # Enthalpy of formation: -1224 #kJ/mol #98PLY/ZHA1 -analytic -3.65022E+0 0E+0 -7.82041E+3 0E+0 0E+0 1.000Co+2 + 1.000CO3-2 = CoCO3 log_k 4.230 #97MAR/SMI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.23E+0 0E+0 0E+0 0E+0 0E+0 1.000Co+2 + 1.000Cl- = CoCl+ log_k 0.570 #81TUR/WHI delta_h -2.180 #kJ/mol # Enthalpy of formation: -226.859 #kJ/mol -analytic 1.88081E-1 0E+0 1.13869E+2 0E+0 0E+0 1.000Co+2 + 2.000Cl- = CoCl2 log_k 0.020 #06BLA/IGN delta_h 4.074 #kJ/mol #06BLA/IGN # Enthalpy of formation: -387.686 #kJ/mol -analytic 7.33733E-1 0E+0 -2.128E+2 0E+0 0E+0 1.000Co+2 + 3.000Cl- = CoCl3- log_k -1.710 #06BLA/IGN delta_h 6.688 #kJ/mol #06BLA/IGN # Enthalpy of formation: -552.152 #kJ/mol -analytic -5.38314E-1 0E+0 -3.49338E+2 0E+0 0E+0 1.000Co+2 + 4.000Cl- = CoCl4-2 log_k -2.090 #06BLA/IGN delta_h 22.570 #kJ/mol #06BLA/IGN # Enthalpy of formation: -703.35 #kJ/mol -analytic 1.86409E+0 0E+0 -1.17891E+3 0E+0 0E+0 1.000Co+2 + 1.000F- = CoF+ log_k 1.500 #97MAR/SMI delta_h -0.631 #kJ/mol # Enthalpy of formation: -393.581 #kJ/mol -analytic 1.38945E+0 0E+0 3.29594E+1 0E+0 0E+0 1.000Co+2 + 1.000H+ + 1.000CO3-2 = CoHCO3+ log_k 12.220 #97MAR/SMI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.222E+1 0E+0 0E+0 0E+0 0E+0 1.000Co+2 - 1.000H+ + 1.000H2(PO4)- = CoHPO4 log_k -4.150 #97MAR/SMI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.15E+0 0E+0 0E+0 0E+0 0E+0 1.000Co+2 + 1.000HS- = CoHS+ log_k 5.670 #66KHO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.67E+0 0E+0 0E+0 0E+0 0E+0 1.000Co+2 + 1.000S2O3-2 = CoS2O3 log_k 2.050 #51DEN/MON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.05E+0 0E+0 0E+0 0E+0 0E+0 1.000Co+2 + 1.000SO4-2 = CoSO4 log_k 2.300 #97MAR/SMI delta_h 2.092 #kJ/mol #74NAU/RYZ # Enthalpy of formation: -964.848 #kJ/mol -analytic 2.6665E+0 0E+0 -1.09273E+2 0E+0 0E+0 1.000H2(PO4)- + 1.000Cr+3 = Cr(H2PO4)+2 log_k 2.560 #66LAH/ADI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.56E+0 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 1.000H2(PO4)- + 1.000Cr+3 = Cr(HPO4)+ log_k 2.250 #76ALE/MAS # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.25E+0 0E+0 0E+0 0E+0 0E+0 1.000Cr+3 + 2.000CO3-2 + 1.000H2O - 1.000H+ = Cr(OH)(CO3)2-2 log_k 9.730 #07RAI/MOO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.73E+0 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 1.000Cr+2 + 1.000H2O = Cr(OH)+ log_k -5.300 #83MIC/DEB, 04CHI delta_h 30.327 #kJ/mol # Enthalpy of formation: -413.123 #kJ/mol -analytic 1.30545E-2 0E+0 -1.58409E+3 0E+0 0E+0 - 1.000H+ + 1.000Cr+3 + 1.000H2O = Cr(OH)+2 log_k -3.420 #04RAI/MOO delta_h 37.165 #kJ/mol # Enthalpy of formation: -489.164 #kJ/mol -analytic 3.09102E+0 0E+0 -1.94126E+3 0E+0 0E+0 - 2.000H+ + 1.000Cr+3 + 2.000H2O = Cr(OH)2+ log_k -8.900 #11GRI/COL4 delta_h 93.201 #kJ/mol # Enthalpy of formation: -718.958 #kJ/mol -analytic 7.42809E+0 0E+0 -4.86822E+3 0E+0 0E+0 - 3.000H+ + 1.000Cr+3 + 3.000H2O = Cr(OH)3 log_k -14.340 #04RAI/MOO delta_h 143.689 #kJ/mol # Enthalpy of formation: -954.3 #kJ/mol -analytic 1.08332E+1 0E+0 -7.50539E+3 0E+0 0E+0 - 3.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(H2PO4)- log_k -11.560 #04RAI/MOO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.156E+1 0E+0 0E+0 0E+0 0E+0 2.000H2(PO4)- + 1.000Cr+3 + 3.000H2O - 3.000H+ = Cr(OH)3(H2PO4)2-2 log_k -10.860 #04RAI/MOO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.086E+1 0E+0 0E+0 0E+0 0E+0 - 4.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(HPO4)-2 log_k -19.580 #04RAI/MOO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.958E+1 0E+0 0E+0 0E+0 0E+0 - 5.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(PO4)-3 log_k -30.240 #98ZIE/JON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.024E+1 0E+0 0E+0 0E+0 0E+0 1.000Cr+3 + 1.000CO3-2 + 4.000H2O - 4.000H+ = Cr(OH)4(CO3)-3 log_k -25.690 #07RAI/MOO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.569E+1 0E+0 0E+0 0E+0 0E+0 - 5.000H+ + 2.000H2(PO4)- + 1.000Cr+3 + 4.000H2O = Cr(OH)4(HPO4)(H2PO4)-4 log_k -28.760 #98ZIE/JON delta_h 14.000 #kJ/mol #98ZIE/JON # Enthalpy of formation: -3975.04 #kJ/mol -analytic -2.63073E+1 0E+0 -7.3127E+2 0E+0 0E+0 - 4.000H+ + 1.000Cr+3 + 4.000H2O = Cr(OH)4- log_k -25.860 #04RAI/MOO delta_h 193.604 #kJ/mol # Enthalpy of formation: -1190.214 #kJ/mol -analytic 8.05792E+0 0E+0 -1.01126E+4 0E+0 0E+0 1.000Cr+3 + 1.000CO3-2 + 1.000H2O - 1.000H+ = Cr(OH)CO3 log_k 4.000 #07RAI/MOO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4E+0 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 2.000Cl- + 1.000Cr+3 + 1.000H2O = Cr(OH)Cl2 log_k -5.730 delta_h 32.720 #kJ/mol # Enthalpy of formation: -827.77 #kJ/mol #76DEL/HEP -analytic 2.28952E-3 0E+0 -1.70908E+3 0E+0 0E+0 - 2.000H+ + 2.000Cr+3 + 2.000H2O = Cr2(OH)2+4 log_k -4.000 #11GRI/COL4 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4E+0 0E+0 0E+0 0E+0 0E+0 2.000H+ + 2.000CrO4-2 - 1.000H2O = Cr2O7-2 log_k 14.750 #87PAL/WES, 04CHI delta_h -3.752 #kJ/mol # Enthalpy of formation: -1475.923 #kJ/mol -analytic 1.40927E+1 0E+0 1.9598E+2 0E+0 0E+0 - 4.000H+ + 3.000Cr+3 + 4.000H2O = Cr3(OH)4+5 log_k -7.600 #11GRI/COL4 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -7.6E+0 0E+0 0E+0 0E+0 0E+0 1.000Br- + 1.000Cr+3 = CrBr+2 log_k -0.620 delta_h 22.600 #kJ/mol # Enthalpy of formation: -339.322 #kJ/mol #76DEL/HEP -analytic 3.33934E+0 0E+0 -1.18048E+3 0E+0 0E+0 1.000Cl- + 1.000Cr+2 = CrCl+ log_k 5.600 #91ALL/BRO delta_h -20.200 #kJ/mol #91ALL/BRO # Enthalpy of formation: -344.9 #kJ/mol -analytic 2.06112E+0 0E+0 1.05512E+3 0E+0 0E+0 1.000Cl- + 1.000Cr+3 = CrCl+2 log_k 0.620 #64SIL/MAR delta_h 20.920 #kJ/mol #64SIL/MAR # Enthalpy of formation: -386.66 #kJ/mol -analytic 4.28502E+0 0E+0 -1.09273E+3 0E+0 0E+0 2.000Cl- + 1.000Cr+3 = CrCl2+ log_k -0.710 #64SIL/MAR delta_h 20.920 #kJ/mol #64SIL/MAR # Enthalpy of formation: -553.74 #kJ/mol -analytic 2.95502E+0 0E+0 -1.09273E+3 0E+0 0E+0 1.000F- + 1.000Cr+3 = CrF+2 log_k 5.210 #81TUR/WHI delta_h -2.510 #kJ/mol #53HEP/JOL # Enthalpy of formation: -578.36 #kJ/mol -analytic 4.77027E+0 0E+0 1.31106E+2 0E+0 0E+0 2.000F- + 1.000Cr+3 = CrF2+ log_k 9.310 #81TUR/WHI delta_h -0.418 #kJ/mol #53HEP/JOL # Enthalpy of formation: -911.618 #kJ/mol -analytic 9.23677E+0 0E+0 2.18336E+1 0E+0 0E+0 3.000F- + 1.000Cr+3 = CrF3 log_k 11.910 #81TUR/WHI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.191E+1 0E+0 0E+0 0E+0 0E+0 2.000H+ + 1.000Cl- + 1.000CrO4-2 - 1.000H2O = CrO3Cl- log_k 8.080 delta_h 5.500 #kJ/mol # Enthalpy of formation: -754.8 #kJ/mol #76DEL/HEP -analytic 9.04356E+0 0E+0 -2.87285E+2 0E+0 0E+0 1.000SO4-2 + 1.000Cr+3 = CrSO4+ log_k 4.610 #81TUR/WHI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.61E+0 0E+0 0E+0 0E+0 0E+0 1.000Cs+ + 1.000Cit-3 = Cs(Cit)-2 log_k 0.980 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.8E-1 0E+0 0E+0 0E+0 0E+0 1.000Cs+ + 1.000Edta-4 = Cs(Edta)-3 log_k 1.300 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0 1.000Cs+ + 1.000Nta-3 = Cs(Nta)-2 log_k 0.850 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.5E-1 0E+0 0E+0 0E+0 0E+0 1.000Cs+ - 1.000H+ + 1.000H2O = Cs(OH) log_k -15.640 delta_h 65.736 #kJ/mol # Enthalpy of formation: -478.094 #kJ/mol #97SHO/SAS2 -analytic -4.12356E+0 0E+0 -3.43363E+3 0E+0 0E+0 1.000Cs+ + 1.000Br- = CsBr log_k 0.090 delta_h 5.922 #kJ/mol # Enthalpy of formation: -373.488 #kJ/mol -analytic 1.12749E+0 0E+0 -3.09327E+2 0E+0 0E+0 1.000Cs+ + 1.000Cl- = CsCl log_k -0.090 delta_h 7.523 #kJ/mol # Enthalpy of formation: -417.557 #kJ/mol -analytic 1.22797E+0 0E+0 -3.92953E+2 0E+0 0E+0 1.000Cs+ + 1.000F- = CsF log_k -0.380 delta_h 2.446 #kJ/mol # Enthalpy of formation: -590.904 #kJ/mol -analytic 4.85202E-2 0E+0 -1.27763E+2 0E+0 0E+0 1.000Cs+ + 1.000I- = CsI log_k 1.050 delta_h -0.055 #kJ/mol # Enthalpy of formation: -314.835 #kJ/mol -analytic 1.04036E+0 0E+0 2.87285E+0 0E+0 0E+0 1.000Cu+2 + 1.000B(OH)4- = Cu(B(OH)4)+ log_k 7.130 #80BAS # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 7.13E+0 0E+0 0E+0 0E+0 0E+0 1.000Cu+2 + 2.000B(OH)4- = Cu(B(OH)4)2 log_k 12.450 #80BAS # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.245E+1 0E+0 0E+0 0E+0 0E+0 1.000Cu+2 + 3.000B(OH)4- = Cu(B(OH)4)3- log_k 15.170 #80BAS # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.517E+1 0E+0 0E+0 0E+0 0E+0 1.000Cu+2 + 1.000SeO4-2 = Cu(SeO4) log_k 2.200 #Upper value suggested in 05OLI/NOL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 1.000Acetate- = Eu(Acetate)+2 log_k 2.900 #12GRI/GAR2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 2.000Acetate- = Eu(Acetate)2+ log_k 4.800 #12GRI/GAR2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.8E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 3.000Acetate- = Eu(Acetate)3 log_k 5.600 #12GRI/GAR2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.6E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 1.000CO3-2 = Eu(CO3)+ log_k 7.900 #95SPA/BRU delta_h 167.549 #kJ/mol # Enthalpy of formation: -1113.013 #kJ/mol -analytic 3.72533E+1 0E+0 -8.75168E+3 0E+0 0E+0 1.000Eu+3 + 2.000CO3-2 = Eu(CO3)2- log_k 12.900 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 3.000CO3-2 = Eu(CO3)3-3 log_k 14.800 #05VER/VIT2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 1.000H2(PO4)- = Eu(H2PO4)+2 log_k 2.400 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 1.000H+ + 1.000CO3-2 = Eu(HCO3)+2 log_k 12.430 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.243E+1 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 - 1.000H+ + 1.000H2(PO4)- = Eu(HPO4)+ log_k -1.510 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.51E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 - 2.000H+ + 2.000H2(PO4)- = Eu(HPO4)2- log_k -4.820 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.82E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 1.000Malonate-2 = Eu(Malonate)+ log_k 5.430 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.43E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 2.000Malonate-2 = Eu(Malonate)2- log_k 7.780 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 7.78E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 1.000NO3- = Eu(NO3)+2 log_k 1.210 #09RAO/TIA1 (Calculated usig SIT) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 - 1.000H+ + 1.000H2O = Eu(OH)+2 log_k -7.800 #95SPA/BRU delta_h 79.824 #kJ/mol # Enthalpy of formation: -811.337 #kJ/mol -analytic 6.18454E+0 0E+0 -4.16949E+3 0E+0 0E+0 1.000Eu+3 - 2.000H+ + 2.000H2O = Eu(OH)2+ log_k -15.700 #07NEC/ALT2 delta_h 144.521 #kJ/mol # Enthalpy of formation: -1032.471 #kJ/mol -analytic 9.61896E+0 0E+0 -7.54885E+3 0E+0 0E+0 1.000Eu+3 - 3.000H+ + 3.000H2O = Eu(OH)3 log_k -26.200 #07NEC/ALT2 delta_h 226.860 #kJ/mol # Enthalpy of formation: -1235.961 #kJ/mol -analytic 1.35441E+1 0E+0 -1.18497E+4 0E+0 0E+0 1.000HIsa- + 1.000Eu+3 + 3.000H2O - 3.000H+ = Eu(OH)3(HIsa)- log_k -20.900 #05TIT/WIE # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.09E+1 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 - 4.000H+ + 4.000H2O = Eu(OH)4- log_k -40.700 #07NEC/ALT2 delta_h 296.791 #kJ/mol # Enthalpy of formation: -1451.86 #kJ/mol -analytic 1.12955E+1 0E+0 -1.55025E+4 0E+0 0E+0 1.000Eu+3 + 1.000Ox-2 = Eu(Ox)+ log_k 6.550 #Richard et al. 2011. Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.55E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 2.000Ox-2 = Eu(Ox)2- log_k 10.930 # Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.093E+1 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 3.000Ox-2 = Eu(Ox)3-3 log_k 12.480 #Richard et al. 2011. Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.248E+1 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 - 2.000H+ + 1.000H2(PO4)- = Eu(PO4) log_k -7.360 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -7.36E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 - 4.000H+ + 2.000H2(PO4)- = Eu(PO4)2-3 log_k -18.460 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.846E+1 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 1.000Phthalat-2 = Eu(Phthalat)+ log_k 4.960 #11GRI/COL3 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.96E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 2.000Phthalat-2 = Eu(Phthalat)2- log_k 7.340 #11GRI/COL3 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 7.34E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 1.000SO4-2 = Eu(SO4)+ log_k 3.500 #95SPA/BRU delta_h 15.577 #kJ/mol # Enthalpy of formation: -1499.094 #kJ/mol -analytic 6.22897E+0 0E+0 -8.13642E+2 0E+0 0E+0 1.000Eu+3 + 2.000SO4-2 = Eu(SO4)2- log_k 5.200 #95SPA/BRU delta_h 27.787 #kJ/mol # Enthalpy of formation: -2396.224 #kJ/mol -analytic 1.00681E+1 0E+0 -1.45141E+3 0E+0 0E+0 1.000Eu+3 + 1.000Succinat-2 = Eu(Succinat)+ log_k 4.360 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.36E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 2.000Succinat-2 = Eu(Succinat)2- log_k 6.500 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 1.000Br- = EuBr+2 log_k 0.250 #95SPA/BRU delta_h 16.223 #kJ/mol # Enthalpy of formation: -710.518 #kJ/mol -analytic 3.09214E+0 0E+0 -8.47385E+2 0E+0 0E+0 1.000Eu+3 + 2.000Br- = EuBr2+ log_k -0.090 #95SPA/BRU delta_h 26.498 #kJ/mol # Enthalpy of formation: -821.653 #kJ/mol -analytic 4.55224E+0 0E+0 -1.38408E+3 0E+0 0E+0 1.000Eu+3 + 1.000Cl- = EuCl+2 log_k 0.760 #Original data 01LUO/BYR and 04LUO/BYR delta_h 21.929 #kJ/mol # Enthalpy of formation: -750.482 #kJ/mol -analytic 4.60179E+0 0E+0 -1.14543E+3 0E+0 0E+0 1.000Eu+3 + 2.000Cl- = EuCl2+ log_k -0.050 #95SPA/BRU delta_h 35.334 #kJ/mol # Enthalpy of formation: -904.158 #kJ/mol -analytic 6.14024E+0 0E+0 -1.84562E+3 0E+0 0E+0 1.000Eu+3 + 1.000F- = EuF+2 log_k 4.330 #07LUO/BYR delta_h 24.956 #kJ/mol # Enthalpy of formation: -915.725 #kJ/mol -analytic 8.7021E+0 0E+0 -1.30354E+3 0E+0 0E+0 1.000Eu+3 + 2.000F- = EuF2+ log_k 6.550 #Original data from 99SCH/BYR and 04LUO/BYR delta_h 21.483 #kJ/mol # Enthalpy of formation: -1254.548 #kJ/mol -analytic 1.03137E+1 0E+0 -1.12213E+3 0E+0 0E+0 1.000Eu+3 + 3.000F- = EuF3 log_k 10.600 #95SPA/BRU delta_h -8.343 #kJ/mol # Enthalpy of formation: -1619.724 #kJ/mol -analytic 9.13837E+0 0E+0 4.35785E+2 0E+0 0E+0 1.000Eu+3 - 1.000H+ + 1.000H4(SiO4) = EuSiO(OH)3+2 log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO1 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 1.000B(OH)4- = Fe(B(OH)4)+2 log_k 8.580 #80BAS # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.58E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 2.000B(OH)4- = Fe(B(OH)4)2+ log_k 15.540 #80BAS # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.554E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 1.000CO3-2 = Fe(CO3) log_k 5.690 #99CHI3 delta_h -5.764 #kJ/mol # Enthalpy of formation: -770.994 #kJ/mol -analytic 4.68019E+0 0E+0 3.01074E+2 0E+0 0E+0 1.000Fe+2 + 2.000CO3-2 = Fe(CO3)2-2 log_k 7.450 #98KIN in 99CHI3 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 7.45E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 3.000CO3-2 = Fe(CO3)3-3 log_k 24.240 #05GRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.424E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 1.000Cit-3 = Fe(Cit) log_k 12.650 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.265E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Fe(Cit)(OH)- log_k 10.330 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.033E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 1.000Cit-3 = Fe(Cit)- log_k 6.100 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.1E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 - 2.000H+ + 2.000Cit-3 + 2.000H2O = Fe(Cit)2(OH)2-5 log_k 3.440 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.44E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 2.000Cit-3 = Fe(Cit)2-3 log_k 18.150 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.815E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 6.000Cn- = Fe(Cn)6-3 log_k 43.600 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.36E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 6.000Cn- = Fe(Cn)6-4 log_k 35.400 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.54E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 1.000Edta-4 = Fe(Edta)- log_k 27.700 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.77E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 1.000Edta-4 = Fe(Edta)-2 log_k 16.020 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.602E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 2.000H+ + 1.000Cit-3 = Fe(H2Cit)+ log_k 24.700 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.47E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 2.000H+ + 1.000Cit-3 = Fe(H2Cit)+2 log_k 30.400 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.04E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 1.000H2(PO4)- = Fe(H2PO4)+ log_k 2.690 #USGS original # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.69E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 1.000H2(PO4)- = Fe(H2PO4)+2 log_k 5.420 #USGS original # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.42E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 - 1.000H+ + 1.000H4(SiO4) = Fe(H3SiO4)+2 log_k 0.360 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.6E-1 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 1.000H+ + 1.000Cit-3 = Fe(HCit) log_k 10.020 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.002E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 1.000H+ + 2.000Cit-3 = Fe(HCit)(Cit)-2 log_k 19.300 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.93E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 1.000H+ + 1.000Cit-3 = Fe(HCit)+ log_k 13.560 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.356E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 2.000H+ + 2.000Cit-3 = Fe(HCit)2- log_k 24.920 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.492E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 1.000H+ + 1.000Edta-4 = Fe(HEdta) log_k 29.200 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.92E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 1.000H+ + 1.000Edta-4 = Fe(HEdta)- log_k 18.300 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 1.000H+ + 1.000Nta-3 = Fe(HNta) log_k 12.300 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.23E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 1.000H+ + 1.000Ox-2 = Fe(HOx)+2 log_k 9.300 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.3E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 - 1.000H+ + 1.000H2(PO4)- = Fe(HPO4) log_k -3.610 #USGS original # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.61E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 - 1.000H+ + 1.000H2(PO4)- = Fe(HPO4)+ log_k 1.630 #96BOU4 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.63E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 1.000HS- = Fe(HS)+ log_k 4.340 #04CHI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.34E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 2.000HS- = Fe(HS)2 log_k 6.450 #04CHI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.45E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 1.000H+ + 1.000SO4-2 = Fe(HSO4)+ log_k 3.070 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.07E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 1.000H+ + 1.000SeO3-2 = Fe(HSeO3)+2 log_k 12.350 #01SEB/POT2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.235E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 1.000NH3 = Fe(NH3)+2 log_k 1.300 #82SCH # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 2.000NH3 = Fe(NH3)2+2 log_k 2.100 #82SCH # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 4.000NH3 = Fe(NH3)4+2 log_k 3.600 #82SCH # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.6E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 1.000NO3- = Fe(NO3)+2 log_k 0.950 #HATCHES 8.0 1996 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.5E-1 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 1.000Nta-3 = Fe(Nta) log_k 18.600 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.86E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 1.000Nta-3 = Fe(Nta)- log_k 10.600 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.06E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 2.000Nta-3 = Fe(Nta)2-3 log_k 27.000 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.7E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 2.000Nta-3 = Fe(Nta)2-4 log_k 13.500 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.35E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Fe(OH)(Cit)-2 log_k 1.500 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Fe(OH)(Edta)-2 log_k 20.840 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.084E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Fe(OH)(Edta)-3 log_k 6.400 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.4E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Fe(OH)(Nta)- log_k 14.600 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Fe(OH)(Nta)-2 log_k -0.120 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.2E-1 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 - 1.000H+ + 1.000H2O = Fe(OH)+ log_k -9.500 #76BAE/MES in 99CHI3 delta_h 55.304 #kJ/mol # Enthalpy of formation: -320.526 #kJ/mol -analytic 1.88831E-1 0E+0 -2.88872E+3 0E+0 0E+0 1.000Fe+3 - 1.000H+ + 1.000H2O = Fe(OH)+2 log_k -2.190 #76BAE/MES in 98CHI delta_h 43.514 #kJ/mol # Enthalpy of formation: -291.316 #kJ/mol -analytic 5.43331E+0 0E+0 -2.27289E+3 0E+0 0E+0 1.000Fe+2 - 2.000H+ + 2.000H2O = Fe(OH)2 log_k -20.600 #76BAE/MES in 99CHI3 delta_h 119.662 #kJ/mol # Enthalpy of formation: -541.998 #kJ/mol -analytic 3.63852E-1 0E+0 -6.25037E+3 0E+0 0E+0 1.000Fe+3 - 2.000H+ + 1.000Cit-3 + 2.000H2O = Fe(OH)2(Cit)-2 log_k 2.900 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 - 2.000H+ + 1.000Edta-4 + 2.000H2O = Fe(OH)2(Edta)-3 log_k 10.060 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.006E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 - 2.000H+ + 1.000Edta-4 + 2.000H2O = Fe(OH)2(Edta)-4 log_k -4.400 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.4E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 - 2.000H+ + 1.000Nta-3 + 2.000H2O = Fe(OH)2(Nta)-2 log_k 6.000 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 - 2.000H+ + 2.000H2O = Fe(OH)2+ log_k -5.670 #76BAE/MES in 98CHI delta_h 71.546 #kJ/mol # Enthalpy of formation: -549.114 #kJ/mol -analytic 6.8643E+0 0E+0 -3.7371E+3 0E+0 0E+0 1.000Fe+3 - 3.000H+ + 3.000H2O = Fe(OH)3 log_k -12.560 #91PEA/BER in 98CHI delta_h 103.764 #kJ/mol # Enthalpy of formation: -802.726 #kJ/mol -analytic 5.61865E+0 0E+0 -5.41996E+3 0E+0 0E+0 1.000Fe+3 - 3.000H+ + 1.000Edta-4 + 3.000H2O = Fe(OH)3(Edta)-4 log_k 8.300 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.3E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 - 3.000H+ + 3.000H2O = Fe(OH)3- log_k -31.900 #76BAE/MES in 99CHI3 delta_h 138.072 #kJ/mol # Enthalpy of formation: -809.418 #kJ/mol -analytic -7.71086E+0 0E+0 -7.21199E+3 0E+0 0E+0 1.000Fe+3 - 4.000H+ + 4.000H2O = Fe(OH)4- log_k -21.600 #76BAE/MES in 98CHI delta_h 133.471 #kJ/mol # Enthalpy of formation: -1058.849 #kJ/mol -analytic 1.78308E+0 0E+0 -6.97167E+3 0E+0 0E+0 1.000Fe+2 - 4.000H+ + 4.000H2O = Fe(OH)4-2 log_k -46.000 #76BAE/MES in 99CHI3 delta_h 158.797 #kJ/mol # Enthalpy of formation: -1074.523 #kJ/mol -analytic -1.818E+1 0E+0 -8.29453E+3 0E+0 0E+0 1.000Fe+2 + 1.000Ox-2 = Fe(Ox) log_k 4.100 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.1E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 1.000Ox-2 = Fe(Ox)+ log_k 9.530 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.53E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 2.000Ox-2 = Fe(Ox)2- log_k 15.750 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.575E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 2.000Ox-2 = Fe(Ox)2-2 log_k 6.200 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.2E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 3.000Ox-2 = Fe(Ox)3-3 log_k 20.200 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.02E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 3.000Ox-2 = Fe(Ox)3-4 log_k 5.220 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.22E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 1.000SO4-2 = Fe(SO4) log_k 2.200 #91PEA/BER in 98CHI delta_h 13.514 #kJ/mol # Enthalpy of formation: -985.826 #kJ/mol -analytic 4.56755E+0 0E+0 -7.05884E+2 0E+0 0E+0 1.000Fe+3 + 1.000SO4-2 = Fe(SO4)+ log_k 4.100 #95BOU in 98CHI delta_h 16.359 #kJ/mol # Enthalpy of formation: -941.981 #kJ/mol -analytic 6.96597E+0 0E+0 -8.54489E+2 0E+0 0E+0 1.000Fe+3 + 2.000SO4-2 = Fe(SO4)2- log_k 5.400 #91PEA/BER in 98CHI delta_h 19.248 #kJ/mol # Enthalpy of formation: -1848.432 #kJ/mol -analytic 8.7721E+0 0E+0 -1.00539E+3 0E+0 0E+0 1.000Fe+3 + 1.000SeO3-2 = Fe(SeO3)+ log_k 11.150 #05OLI/NOL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.115E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 1.000SeO4-2 = Fe(SeO4) log_k 2.710 #01SEB/POT2 delta_h -12.601 #kJ/mol # Enthalpy of formation: -706.101 #kJ/mol -analytic 5.02403E-1 0E+0 6.58195E+2 0E+0 0E+0 2.000Fe+3 - 2.000H+ + 2.000Cit-3 + 2.000H2O = Fe2(Cit)2(OH)2-2 log_k 45.000 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.5E+1 0E+0 0E+0 0E+0 0E+0 2.000Fe+3 - 2.000H+ + 2.000Edta-4 + 2.000H2O = Fe2(OH)2(Edta)2-4 log_k 68.000 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.8E+1 0E+0 0E+0 0E+0 0E+0 2.000Fe+3 - 2.000H+ + 2.000H2O = Fe2(OH)2+4 log_k -2.950 #91PEA/BER in 98CHI delta_h 56.484 #kJ/mol # Enthalpy of formation: -613.175 #kJ/mol -analytic 6.94556E+0 0E+0 -2.95036E+3 0E+0 0E+0 3.000Fe+3 - 4.000H+ + 4.000H2O = Fe3(OH)4+5 log_k -6.300 #76BAE/MES in 98CHI delta_h 59.831 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.18193E+0 0E+0 -3.12519E+3 0E+0 0E+0 1.000Fe+3 + 1.000Br- = FeBr+2 log_k 0.700 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 7E-1 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 2.000Br- = FeBr2+ log_k 0.900 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9E-1 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O = FeCO3OH log_k 10.760 #05GRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.076E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 - 1.000H+ + 1.000CO3-2 + 1.000H2O = FeCO3OH- log_k -4.030 #98KIN in 99CHI3 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.03E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 1.000Cl- = FeCl+ log_k 0.140 #91PEA/BER in 98CHI delta_h -0.078 #kJ/mol # Enthalpy of formation: -257.158 #kJ/mol -analytic 1.26335E-1 0E+0 4.07422E+0 0E+0 0E+0 1.000Fe+3 + 1.000Cl- = FeCl+2 log_k 1.400 #95BOU in 98CHI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.4E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 2.000Cl- = FeCl2 log_k -0.520 #95CHI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -5.2E-1 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 2.000Cl- = FeCl2+ log_k 2.100 #95BOU in 98CHI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 3.000Cl- = FeCl3 log_k 1.130 #90NOR/PLU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.13E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 3.000Cl- = FeCl3- log_k 1.020 #95CHI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.02E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 4.000Cl- = FeCl4- log_k -0.790 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -7.9E-1 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 1.000CrO4-2 = FeCrO4+ log_k 7.800 #96BAR/PAL delta_h 19.100 #kJ/mol #96BAR/PAL # Enthalpy of formation: -908.9 #kJ/mol -analytic 1.11462E+1 0E+0 -9.97661E+2 0E+0 0E+0 1.000Fe+2 + 1.000F- = FeF+ log_k 1.000 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 1.000F- = FeF+2 log_k 6.130 #92PEA/BER in 98CHI delta_h 11.297 #kJ/mol # Enthalpy of formation: -373.053 #kJ/mol -analytic 8.10915E+0 0E+0 -5.90083E+2 0E+0 0E+0 1.000Fe+3 + 2.000F- = FeF2+ log_k 10.800 #92PEA/BER in 98CHI delta_h 19.665 #kJ/mol # Enthalpy of formation: -700.035 #kJ/mol -analytic 1.42452E+1 0E+0 -1.02717E+3 0E+0 0E+0 1.000Fe+3 + 3.000F- = FeF3 log_k 14.000 #92PEA/BER in 98CHI delta_h 22.595 #kJ/mol # Enthalpy of formation: -1032.455 #kJ/mol -analytic 1.79585E+1 0E+0 -1.18022E+3 0E+0 0E+0 1.000Fe+3 + 2.000H+ + 1.000Pyrophos-4 = FeH2Pyrophos+ log_k 26.000 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.6E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+2 + 1.000H+ + 1.000CO3-2 = FeHCO3+ log_k 11.770 #95CHI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.177E+1 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 1.000H+ + 1.000SO4-2 = FeHSO4+2 log_k 4.470 #90NOR/PLU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.47E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 1.000I- = FeI+2 log_k 2.100 #96BOU2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 1.000S2O3-2 = FeS2O3+ log_k 3.900 #82SCH # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0 1.000Fe+3 + 1.000Scn- = FeScn+2 log_k 3.100 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.1E+0 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000Adipate-2 = H(Adipate)- log_k 5.450 #04MAR/SMI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.45E+0 0E+0 0E+0 0E+0 0E+0 - 2.000H+ + 1.000H3(AsO3) = H(AsO3)-2 log_k -23.620 #79IVA/VOR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.362E+1 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000AsO4-3 = H(AsO4)-2 log_k 11.600 delta_h -18.200 #kJ/mol # Enthalpy of formation: -906.34 #kJ/mol #09RAN/FUG -analytic 8.4115E+0 0E+0 9.50651E+2 0E+0 0E+0 1.000H+ + 1.000Cit-3 = H(Cit)-2 log_k 6.360 #05HUM/AND delta_h 3.300 #kJ/mol # Enthalpy of formation: -1516.62 #kJ/mol -analytic 6.93813E+0 0E+0 -1.72371E+2 0E+0 0E+0 1.000H+ + 1.000Edta-4 = H(Edta)-3 log_k 11.240 #05HUM/AND delta_h -19.800 #kJ/mol # Enthalpy of formation: -1724.6 #kJ/mol -analytic 7.77119E+0 0E+0 1.03422E+3 0E+0 0E+0 1.000H+ + 1.000Malonate-2 = H(Malonate)- log_k 5.710 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.71E+0 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000Nta-3 = H(Nta)-2 log_k 10.280 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.028E+1 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000Ox-2 = H(Ox)- log_k 4.250 #05HUM/AND delta_h 7.300 #kJ/mol # Enthalpy of formation: -823.36 #kJ/mol -analytic 5.5289E+0 0E+0 -3.81305E+2 0E+0 0E+0 1.000H+ + 1.000Pyrophos-4 = H(Pyrophos)-3 log_k 9.400 #92GRE/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.4E+0 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000S2O3-2 = H(S2O3)- log_k 1.720 #04CHI delta_h 8.253 #kJ/mol # Enthalpy of formation: -644.033 #kJ/mol -analytic 3.16586E+0 0E+0 -4.31084E+2 0E+0 0E+0 1.000H+ + 1.000SO3-2 = H(SO3)- log_k 7.170 #85GOL/PAR delta_h 3.668 #kJ/mol # Enthalpy of formation: -627.392 #kJ/mol -analytic 7.81261E+0 0E+0 -1.91593E+2 0E+0 0E+0 1.000H+ + 1.000SO4-2 = H(SO4)- log_k 1.980 delta_h 22.440 #kJ/mol # Enthalpy of formation: -886.9 #kJ/mol -analytic 5.91131E+0 0E+0 -1.17212E+3 0E+0 0E+0 1.000H+ + 1.000SeO3-2 = H(SeO3)- log_k 8.360 #05OLI/NOL delta_h -5.170 #kJ/mol # Enthalpy of formation: -512.33 #kJ/mol #05OLI/NOL -analytic 7.45426E+0 0E+0 2.70048E+2 0E+0 0E+0 1.000H+ + 1.000SeO4-2 = H(SeO4)- log_k 1.750 #05OLI/NOL delta_h 20.800 #kJ/mol #05OLI/NOL # Enthalpy of formation: -582.7 #kJ/mol -analytic 5.394E+0 0E+0 -1.08646E+3 0E+0 0E+0 1.000H+ + 1.000Suberate-2 = H(Suberate)- log_k 5.400 #31GAN/ING # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.4E+0 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000Succinat-2 = H(Succinat)- log_k 5.710 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.71E+0 0E+0 0E+0 0E+0 0E+0 2.000H+ + 1.000Adipate-2 = H2(Adipate) log_k 9.890 #04MAR/SMI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.89E+0 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 1.000H3(AsO3) = H2(AsO3)- log_k -9.220 delta_h 27.410 #kJ/mol # Enthalpy of formation: -714.79 #kJ/mol #10RAN/FUG -analytic -4.41798E+0 0E+0 -1.43172E+3 0E+0 0E+0 2.000H+ + 1.000AsO4-3 = H2(AsO4)- log_k 18.370 delta_h -21.420 #kJ/mol # Enthalpy of formation: -909.56 #kJ/mol #09RAN/FUG -analytic 1.46174E+1 0E+0 1.11884E+3 0E+0 0E+0 2.000H+ + 1.000Cit-3 = H2(Cit)- log_k 11.140 #05HUM/AND delta_h 0.900 #kJ/mol # Enthalpy of formation: -1519.02 #kJ/mol -analytic 1.12977E+1 0E+0 -4.70102E+1 0E+0 0E+0 2.000H+ + 1.000Edta-4 = H2(Edta)-2 log_k 18.040 #05HUM/AND delta_h -35.000 #kJ/mol # Enthalpy of formation: -1739.8 #kJ/mol -analytic 1.19083E+1 0E+0 1.82817E+3 0E+0 0E+0 2.000H+ + 1.000Malonate-2 = H2(Malonate) log_k 8.670 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.67E+0 0E+0 0E+0 0E+0 0E+0 2.000H+ + 1.000Nta-3 = H2(Nta)- log_k 13.200 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.32E+1 0E+0 0E+0 0E+0 0E+0 2.000H+ + 1.000Ox-2 = H2(Ox) log_k 5.650 #05HUM/AND delta_h 10.600 #kJ/mol #05HUM/AND # Enthalpy of formation: -820.06 #kJ/mol -analytic 7.50704E+0 0E+0 -5.53676E+2 0E+0 0E+0 2.000H+ + 1.000Pyrophos-4 = H2(Pyrophos)-2 log_k 16.050 #92GRE/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.605E+1 0E+0 0E+0 0E+0 0E+0 2.000H+ + 1.000S2O3-2 = H2(S2O3) log_k 2.320 #04CHI delta_h 22.917 #kJ/mol # Enthalpy of formation: -629.369 #kJ/mol -analytic 6.33488E+0 0E+0 -1.19704E+3 0E+0 0E+0 2.000H+ + 1.000SO3-2 = H2(SO3) log_k 9.030 #85GOL/PAR delta_h 21.453 #kJ/mol # Enthalpy of formation: -609.607 #kJ/mol -analytic 1.27884E+1 0E+0 -1.12057E+3 0E+0 0E+0 2.000H+ + 1.000SeO3-2 = H2(SeO3) log_k 11.000 #05OLI/NOL delta_h 1.840 #kJ/mol # Enthalpy of formation: -505.32 #kJ/mol #05OLI/NOL -analytic 1.13224E+1 0E+0 -9.61098E+1 0E+0 0E+0 - 2.000H+ + 1.000H4(SiO4) = H2(SiO4)-2 log_k -23.140 #92GRE/FUG delta_h 75.000 #kJ/mol #92GRE/FUG # Enthalpy of formation: -1386.194 #kJ/mol -analytic -1.00006E+1 0E+0 -3.91752E+3 0E+0 0E+0 2.000H+ + 1.000Suberate-2 = H2(Suberate) log_k 9.920 #31GAN/ING # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.92E+0 0E+0 0E+0 0E+0 0E+0 2.000H+ + 1.000Succinat-2 = H2(Succinat) log_k 9.950 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.95E+0 0E+0 0E+0 0E+0 0E+0 2.000H+ + 1.000CrO4-2 = H2CrO4 log_k 6.320 #76BAE/MES, 04CHI delta_h 39.596 #kJ/mol # Enthalpy of formation: -839.404 #kJ/mol -analytic 1.32569E+1 0E+0 -2.06824E+3 0E+0 0E+0 2.000H+ + 1.000H2(PO4)- + 1.000CrO4-2 - 1.000H2O = H2CrPO7- log_k 9.020 delta_h -51.490 #kJ/mol # Enthalpy of formation: -1947.26 #kJ/mol #76DEL/HAL -analytic -6.47544E-4 0E+0 2.68951E+3 0E+0 0E+0 1.000H+ + 1.000HGlu- = H2Glu log_k 3.900 #98ZUB/CAS # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000HIsa- = H2Isa log_k 4.000 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4E+0 0E+0 0E+0 0E+0 0E+0 2.000H+ + 1.000MoO4-2 = H2MoO4 log_k 8.150 #68SAS/SIL, 64AVE/ANA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.15E+0 0E+0 0E+0 0E+0 0E+0 2.000H+ + 1.000Phthalat-2 = H2Phthalat log_k 8.320 #10RIC/SAB1 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.32E+0 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000HS- = H2S log_k 6.990 delta_h -22.300 #kJ/mol # Enthalpy of formation: -38.6 #kJ/mol #89COX/WAG -analytic 3.08321E+0 0E+0 1.16481E+3 0E+0 0E+0 2.000H+ + 1.000S2O4-2 = H2S2O4 log_k 2.800 #04CHI delta_h 20.207 #kJ/mol # Enthalpy of formation: -733.293 #kJ/mol -analytic 6.34011E+0 0E+0 -1.05548E+3 0E+0 0E+0 1.000H+ + 1.000HSe- = H2Se log_k 3.850 # delta_h 0.000 #kJ/mol # Enthalpy of formation: 14.3 #kJ/mol #05OLI/NOL -analytic 3.85E+0 0E+0 0E+0 0E+0 0E+0 3.000H+ + 1.000AsO4-3 = H3(AsO4) log_k 20.630 delta_h -14.360 #kJ/mol # Enthalpy of formation: -902.5 #kJ/mol #09RAN/FUG -analytic 1.81142E+1 0E+0 7.50074E+2 0E+0 0E+0 3.000H+ + 1.000Cit-3 = H3(Cit) log_k 14.270 #05HUM/AND delta_h -3.600 #kJ/mol # Enthalpy of formation: -1523.52 #kJ/mol -analytic 1.36393E+1 0E+0 1.88041E+2 0E+0 0E+0 3.000H+ + 1.000Edta-4 = H3(Edta)- log_k 21.190 #05HUM/AND delta_h -27.900 #kJ/mol # Enthalpy of formation: -1732.7 #kJ/mol -analytic 1.63021E+1 0E+0 1.45732E+3 0E+0 0E+0 3.000H+ + 1.000Nta-3 = H3(Nta) log_k 15.330 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.533E+1 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000H2(PO4)- = H3(PO4) log_k 2.140 #92GRE/FUG delta_h 8.480 #kJ/mol #92GRE/FUG # Enthalpy of formation: -1294.12 #kJ/mol -analytic 3.62563E+0 0E+0 -4.42941E+2 0E+0 0E+0 3.000H+ + 1.000Pyrophos-4 = H3(Pyrophos)- log_k 18.300 #92GRE/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 1.000H4(SiO4) = H3(SiO4)- log_k -9.840 #06BLA/PIA delta_h 29.363 #kJ/mol # Enthalpy of formation: -1431.831 #kJ/mol -analytic -4.69583E+0 0E+0 -1.53373E+3 0E+0 0E+0 4.000H+ + 1.000Edta-4 = H4(Edta) log_k 23.420 #05HUM/AND delta_h -26.000 #kJ/mol # Enthalpy of formation: -1730.8 #kJ/mol -analytic 1.8865E+1 0E+0 1.35807E+3 0E+0 0E+0 4.000H+ + 1.000Nta-3 = H4(Nta)+ log_k 16.130 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.613E+1 0E+0 0E+0 0E+0 0E+0 4.000H+ + 1.000Pyrophos-4 = H4(Pyrophos) log_k 19.300 #92GRE/FUG delta_h 6.684 #kJ/mol # Enthalpy of formation: -2280.21 #kJ/mol #92GRE/FUG -analytic 2.0471E+1 0E+0 -3.49129E+2 0E+0 0E+0 5.000H+ + 1.000Edta-4 = H5(Edta)+ log_k 24.720 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.472E+1 0E+0 0E+0 0E+0 0E+0 6.000H+ + 1.000Edta-4 = H6(Edta)+2 log_k 24.220 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.422E+1 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000Acetate- = HAcetate log_k 4.760 delta_h 0.250 #kJ/mol # Enthalpy of formation: -485.76 #kJ/mol #82WAG/EVA -analytic 4.8038E+0 0E+0 -1.30584E+1 0E+0 0E+0 1.000H+ + 2.000B(OH)4- - 4.000H2O = HB2O4- log_k 9.170 #97CRO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.17E+0 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000CO3-2 = HCO3- log_k 10.330 delta_h -14.700 #kJ/mol # Enthalpy of formation: -689.93 #kJ/mol #89COX/WAG -analytic 7.75467E+0 0E+0 7.67833E+2 0E+0 0E+0 1.000H+ + 1.000Cl- = HCl log_k -0.710 #97TAG/ZOT delta_h -12.298 #kJ/mol # Enthalpy of formation: -179.378 #kJ/mol -analytic -2.86451E+0 0E+0 6.42368E+2 0E+0 0E+0 1.000H+ + 1.000CrO4-2 = HCrO4- log_k 6.520 #87PAL/WES, 04CHI delta_h 6.016 #kJ/mol # Enthalpy of formation: -872.984 #kJ/mol -analytic 7.57396E+0 0E+0 -3.14237E+2 0E+0 0E+0 1.000H+ + 1.000H2(PO4)- + 1.000CrO4-2 - 1.000H2O = HCrPO7-2 log_k 6.370 delta_h -36.390 #kJ/mol # Enthalpy of formation: -1932.16 #kJ/mol #76DEL/HEP -analytic -5.24498E-3 0E+0 1.90078E+3 0E+0 0E+0 1.000H+ + 1.000MoO4-2 = HMoO4- log_k 4.110 #68SAS/SIL, 64AVE/ANA delta_h 58.576 #kJ/mol #68ARN/SZI in 76BAE/MES # Enthalpy of formation: -938.424 #kJ/mol -analytic 1.43721E+1 0E+0 -3.05963E+3 0E+0 0E+0 - 1.000H+ + 1.000H2(PO4)- = HPO4-2 log_k -7.210 delta_h 3.600 #kJ/mol # Enthalpy of formation: -1299 #kJ/mol #89COX/WAG -analytic -6.57931E+0 0E+0 -1.88041E+2 0E+0 0E+0 1.000H+ + 1.000Phthalat-2 = HPhthalat- log_k 5.340 #10RIC/SAB1 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.34E+0 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000S2O4-2 = HS2O4- log_k 2.500 #04CHI delta_h 3.834 #kJ/mol # Enthalpy of formation: -749.666 #kJ/mol -analytic 3.17169E+0 0E+0 -2.00263E+2 0E+0 0E+0 1.000H+ + 1.000SO4-2 + 0.500O2 = HSO5- log_k -17.220 delta_h 139.777 #kJ/mol # Enthalpy of formation: -775.63 #kJ/mol #88SHO/HEL -analytic 7.26784E+0 0E+0 -7.30105E+3 0E+0 0E+0 4.000CO3-2 + 1.000Hf+4 = Hf(CO3)4-4 log_k 42.900 #analogy with Zr # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.29E+1 0E+0 0E+0 0E+0 0E+0 2.000NO3- + 1.000Hf+4 = Hf(NO3)2+2 log_k 2.490 #65DES/KHO recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.49E+0 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 1.000Hf+4 + 1.000H2O = Hf(OH)+3 log_k -0.200 #01RAI/XIA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2E-1 0E+0 0E+0 0E+0 0E+0 - 4.000H+ + 1.000Hf+4 + 4.000H2O = Hf(OH)4 log_k -11.200 #01RAI/XIA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.12E+1 0E+0 0E+0 0E+0 0E+0 - 5.000H+ + 1.000Hf+4 + 5.000H2O = Hf(OH)5- log_k -20.300 #01RAI/XIA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.03E+1 0E+0 0E+0 0E+0 0E+0 - 6.000H+ + 1.000Hf+4 + 6.000H2O = Hf(OH)6-2 log_k -32.800 #01RAI/XIA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.28E+1 0E+0 0E+0 0E+0 0E+0 2.000SO4-2 + 1.000Hf+4 = Hf(SO4)2 log_k 10.110 #65DES/KHO recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.011E+1 0E+0 0E+0 0E+0 0E+0 1.000Br- + 1.000Hf+4 = HfBr+3 log_k 0.380 #67HAL/POH recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.8E-1 0E+0 0E+0 0E+0 0E+0 1.000Cl- + 1.000Hf+4 = HfCl+3 log_k 2.200 #65DES/KHO and others recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0 2.000Cl- + 1.000Hf+4 = HfCl2+2 log_k 2.050 #65DES/KHO and others recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.05E+0 0E+0 0E+0 0E+0 0E+0 1.000F- + 1.000Hf+4 = HfF+3 log_k 9.290 #05SAW/THA and others recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.29E+0 0E+0 0E+0 0E+0 0E+0 2.000F- + 1.000Hf+4 = HfF2+2 log_k 17.850 #05SAW/THA and others recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.785E+1 0E+0 0E+0 0E+0 0E+0 3.000F- + 1.000Hf+4 = HfF3+ log_k 25.080 #05SAW/THA and others recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.508E+1 0E+0 0E+0 0E+0 0E+0 4.000F- + 1.000Hf+4 = HfF4 log_k 31.410 #05SAW/THA and others recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.141E+1 0E+0 0E+0 0E+0 0E+0 1.000I- + 1.000Hf+4 = HfI+3 log_k 0.020 #67HAL/POH recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2E-2 0E+0 0E+0 0E+0 0E+0 1.000NO3- + 1.000Hf+4 = HfNO3+3 log_k 1.850 #65DES/KHO 69HAL/SMO recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.85E+0 0E+0 0E+0 0E+0 0E+0 1.000SO4-2 + 1.000Hf+4 = HfSO4+2 log_k 6.060 #65DES/KHO recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.06E+0 0E+0 0E+0 0E+0 0E+0 1.000Hg+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 = Hg(SeCn)2 log_k 134.330 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.3433E+2 0E+0 0E+0 0E+0 0E+0 1.000Hg+2 + 3.000H+ + 3.000Cn- + 3.000HSe- - 3.000H2O + 1.500O2 = Hg(SeCn)3- log_k 194.850 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.9485E+2 0E+0 0E+0 0E+0 0E+0 1.000Hg+2 + 4.000H+ + 4.000Cn- + 4.000HSe- - 4.000H2O + 2.000O2 = Hg(SeCn)4-2 log_k 253.370 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.5337E+2 0E+0 0E+0 0E+0 0E+0 1.000Hg+2 + 2.000SeO3-2 = Hg(SeO3)2-2 log_k 14.850 #05OLI/NOL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.485E+1 0E+0 0E+0 0E+0 0E+0 1.000Hg+2 - 1.000H+ + 1.000HSe- = HgSe log_k 37.590 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.759E+1 0E+0 0E+0 0E+0 0E+0 1.000Hg+2 - 2.000H+ + 2.000HSe- = HgSe2-2 log_k 32.630 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.263E+1 0E+0 0E+0 0E+0 0E+0 1.000Ho+3 + 1.000CO3-2 = Ho(CO3)+ log_k 8.000 #95SPA/BRU delta_h 168.562 #kJ/mol # Enthalpy of formation: -1213.71 #kJ/mol -analytic 3.75308E+1 0E+0 -8.80459E+3 0E+0 0E+0 1.000Ho+3 + 2.000CO3-2 = Ho(CO3)2- log_k 13.300 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.33E+1 0E+0 0E+0 0E+0 0E+0 1.000Ho+3 + 3.000CO3-2 = Ho(CO3)3-3 log_k 14.800 #05VER/VIT2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0 1.000Ho+3 + 1.000H2(PO4)- = Ho(H2PO4)+2 log_k 2.300 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000Ho+3 + 1.000CO3-2 = Ho(HCO3)+2 log_k 12.500 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.25E+1 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 1.000Ho+3 + 1.000H2(PO4)- = Ho(HPO4)+ log_k -1.410 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.41E+0 0E+0 0E+0 0E+0 0E+0 - 2.000H+ + 1.000Ho+3 + 2.000H2(PO4)- = Ho(HPO4)2- log_k -4.520 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.52E+0 0E+0 0E+0 0E+0 0E+0 1.000Ho+3 + 1.000NO3- = Ho(NO3)+2 log_k 0.500 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5E-1 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 1.000Ho+3 + 1.000H2O = Ho(OH)+2 log_k -7.900 #95SPA/BRU delta_h 79.900 #kJ/mol # Enthalpy of formation: -912.972 #kJ/mol -analytic 6.09786E+0 0E+0 -4.17346E+3 0E+0 0E+0 - 2.000H+ + 1.000Ho+3 + 2.000H2O = Ho(OH)2+ log_k -15.700 #07NEC/ALT2 delta_h 143.846 #kJ/mol # Enthalpy of formation: -1134.856 #kJ/mol -analytic 9.5007E+0 0E+0 -7.51359E+3 0E+0 0E+0 - 3.000H+ + 1.000Ho+3 + 3.000H2O = Ho(OH)3 log_k -26.200 #07NEC/ALT2 delta_h 226.067 #kJ/mol # Enthalpy of formation: -1338.465 #kJ/mol -analytic 1.34052E+1 0E+0 -1.18083E+4 0E+0 0E+0 - 4.000H+ + 1.000Ho+3 + 4.000H2O = Ho(OH)4- log_k -40.700 #07NEC/ALT2 delta_h 295.822 #kJ/mol # Enthalpy of formation: -1554.54 #kJ/mol -analytic 1.11257E+1 0E+0 -1.54518E+4 0E+0 0E+0 - 2.000H+ + 1.000Ho+3 + 1.000H2(PO4)- = Ho(PO4) log_k -6.960 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6.96E+0 0E+0 0E+0 0E+0 0E+0 - 4.000H+ + 1.000Ho+3 + 2.000H2(PO4)- = Ho(PO4)2-3 log_k -17.820 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.782E+1 0E+0 0E+0 0E+0 0E+0 1.000Ho+3 + 1.000SO4-2 = Ho(SO4)+ log_k 3.400 #95SPA/BRU delta_h 15.387 #kJ/mol # Enthalpy of formation: -1600.995 #kJ/mol -analytic 6.09568E+0 0E+0 -8.03718E+2 0E+0 0E+0 1.000Ho+3 + 2.000SO4-2 = Ho(SO4)2- log_k 4.900 #95SPA/BRU delta_h 23.670 #kJ/mol # Enthalpy of formation: -2502.052 #kJ/mol -analytic 9.0468E+0 0E+0 -1.23637E+3 0E+0 0E+0 1.000Ho+3 + 1.000Cl- = HoCl+2 log_k 0.740 #Original data from 01LUO/BYR and 04LUO/BYR delta_h 22.013 #kJ/mol # Enthalpy of formation: -852.109 #kJ/mol -analytic 4.59651E+0 0E+0 -1.14982E+3 0E+0 0E+0 1.000Ho+3 + 2.000Cl- = HoCl2+ log_k -0.290 #81TUR/WHI delta_h 36.300 #kJ/mol # Enthalpy of formation: -1004.902 #kJ/mol -analytic 6.06948E+0 0E+0 -1.89608E+3 0E+0 0E+0 1.000Ho+3 + 1.000F- = HoF+2 log_k 4.330 #07LUO/BYR delta_h 25.761 #kJ/mol # Enthalpy of formation: -1016.631 #kJ/mol -analytic 8.84313E+0 0E+0 -1.34559E+3 0E+0 0E+0 1.000Ho+3 + 2.000F- = HoF2+ log_k 6.520 #Original data from 99SCH/BYR and 04LUO/BYR delta_h 21.110 #kJ/mol #04LUO/MIL # Enthalpy of formation: -1356.632 #kJ/mol -analytic 1.02183E+1 0E+0 -1.10265E+3 0E+0 0E+0 - 1.000H+ + 1.000Ho+3 + 1.000H4(SiO4) = HoSiO(OH)3+2 log_k -2.620 #Original data from 07THA/SIN and 96JEN/CHO1 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 3.000I- - 1.000H2O + 2.000H+ + 0.500O2 = I3- log_k 24.820 delta_h -160.886 #kJ/mol # Enthalpy of formation: -51.463 #kJ/mol -analytic -3.36598E+0 0E+0 8.40365E+3 0E+0 0E+0 2.000Cl- + 1.000I- - 1.000H2O + 2.000H+ + 0.500O2 = ICl2- log_k 16.190 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.619E+1 0E+0 0E+0 0E+0 0E+0 1.000I- + 0.500O2 = IO- log_k -1.010 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.01E+0 0E+0 0E+0 0E+0 0E+0 1.000I- + 2.000O2 = IO4- log_k 6.980 delta_h -70.413 #kJ/mol # Enthalpy of formation: -151.461 #kJ/mol -analytic -5.35581E+0 0E+0 3.67792E+3 0E+0 0E+0 1.000K+ + 1.000Edta-4 = K(Edta)-3 log_k 1.800 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0 1.000K+ + 1.000H+ + 1.000Nta-3 = K(HNta)- log_k 10.300 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.03E+1 0E+0 0E+0 0E+0 0E+0 1.000K+ - 1.000H+ + 1.000H2(PO4)- = K(HPO4)- log_k -6.400 #97MAR/SMI delta_h 31.589 #kJ/mol #97MAR/SMI # Enthalpy of formation: -1523.151 #kJ/mol -analytic -8.65853E-1 0E+0 -1.65001E+3 0E+0 0E+0 1.000K+ + 1.000IO3- = K(IO3) log_k 0.020 #estimation NEA87 08/2/95 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2E-2 0E+0 0E+0 0E+0 0E+0 1.000K+ + 1.000Nta-3 = K(Nta)-2 log_k 1.300 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0 1.000K+ + 1.000Pyrophos-4 = K(Pyrophos)-3 log_k 2.100 #76MAR/SMI delta_h 7.113 #kJ/mol #76MAR/SMI # Enthalpy of formation: -2531.921 #kJ/mol -analytic 3.34614E+0 0E+0 -3.71537E+2 0E+0 0E+0 1.000K+ + 1.000Al+3 - 4.000H+ + 4.000H2O = KAl(OH)4 log_k -24.220 delta_h 211.675 #kJ/mol # Enthalpy of formation: -1722.185 #kJ/mol #97POK/HEL2 -analytic 1.28638E+1 0E+0 -1.10565E+4 0E+0 0E+0 1.000K+ + 1.000H2(PO4)- = KH2PO4 log_k 0.440 #97MAR/SMI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.4E-1 0E+0 0E+0 0E+0 0E+0 1.000K+ + 1.000I- = KI log_k -1.570 #estimation NEA87 08/2/95 delta_h 9.011 #kJ/mol # Enthalpy of formation: -299.909 #kJ/mol -analytic 8.65712E-3 0E+0 -4.70677E+2 0E+0 0E+0 1.000K+ - 2.000H+ + 1.000H2(PO4)- = KPO4-2 log_k -18.260 #97MAR/SMI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.826E+1 0E+0 0E+0 0E+0 0E+0 1.000Mg+2 + 1.000CO3-2 = Mg(CO3) log_k 2.980 #97SVE/SHO delta_h 8.804 #kJ/mol # Enthalpy of formation: -1133.426 #kJ/mol -analytic 4.52239E+0 0E+0 -4.59864E+2 0E+0 0E+0 1.000Mg+2 + 1.000Cit-3 = Mg(Cit)- log_k 4.810 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.81E+0 0E+0 0E+0 0E+0 0E+0 1.000Mg+2 + 1.000Edta-4 = Mg(Edta)-2 log_k 10.900 #05HUM/AND delta_h 19.800 #kJ/mol # Enthalpy of formation: -2152 #kJ/mol -analytic 1.43688E+1 0E+0 -1.03422E+3 0E+0 0E+0 1.000Mg+2 + 2.000H+ + 1.000Cit-3 = Mg(H2Cit)+ log_k 12.450 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.245E+1 0E+0 0E+0 0E+0 0E+0 1.000Mg+2 + 1.000H2(PO4)- = Mg(H2PO4)+ log_k 1.170 #81TUR/WHI delta_h 13.514 #kJ/mol #96BOU1 # Enthalpy of formation: -1756.086 #kJ/mol -analytic 3.53755E+0 0E+0 -7.05884E+2 0E+0 0E+0 1.000Mg+2 - 1.000H+ + 1.000H4(SiO4) = Mg(H3SiO4)+ log_k -8.580 #97SVE/SHO delta_h 27.114 #kJ/mol # Enthalpy of formation: -1901.08 #kJ/mol -analytic -3.82984E+0 0E+0 -1.41626E+3 0E+0 0E+0 1.000Mg+2 + 1.000H+ + 1.000CO3-2 = Mg(HCO3)+ log_k 11.370 #95SHO/KOR delta_h -12.859 #kJ/mol # Enthalpy of formation: -1155.089 #kJ/mol -analytic 9.1172E+0 0E+0 6.71671E+2 0E+0 0E+0 1.000Mg+2 + 1.000H+ + 1.000Cit-3 = Mg(HCit) log_k 8.960 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.96E+0 0E+0 0E+0 0E+0 0E+0 1.000Mg+2 + 1.000H+ + 1.000Edta-4 = Mg(HEdta)- log_k 15.400 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.54E+1 0E+0 0E+0 0E+0 0E+0 1.000Mg+2 + 1.000H+ + 1.000Malonate-2 = Mg(HMalonate)+ log_k 7.050 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 7.05E+0 0E+0 0E+0 0E+0 0E+0 1.000Mg+2 - 1.000H+ + 1.000H2(PO4)- = Mg(HPO4) log_k -4.300 #76SMI/MAR delta_h 16.152 #kJ/mol #76SMI/MAR # Enthalpy of formation: -1753.448 #kJ/mol -analytic -1.4703E+0 0E+0 -8.43676E+2 0E+0 0E+0 1.000Mg+2 + 1.000H+ + 1.000Succinat-2 = Mg(HSuccinat)+ log_k 6.720 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.72E+0 0E+0 0E+0 0E+0 0E+0 1.000Mg+2 + 1.000IO3- = Mg(IO3)+ log_k 0.700 #estimation NEA87 08/2/95 ; # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 7E-1 0E+0 0E+0 0E+0 0E+0 1.000Mg+2 + 1.000Malonate-2 = Mg(Malonate) log_k 2.860 #76KLA/OST # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.86E+0 0E+0 0E+0 0E+0 0E+0 1.000Mg+2 + 1.000NH3 = Mg(NH3)+2 log_k 0.100 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 # delta_h 0.000 #kJ/mol # Enthalpy of formation: -548.148 #kJ/mol -analytic 1E-1 0E+0 0E+0 0E+0 0E+0 1.000Mg+2 + 3.000NH3 = Mg(NH3)3+2 log_k -0.300 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 # delta_h 0.000 #kJ/mol # Enthalpy of formation: -710.444 #kJ/mol -analytic -3E-1 0E+0 0E+0 0E+0 0E+0 1.000Mg+2 + 4.000NH3 = Mg(NH3)4+2 log_k -1.000 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 # delta_h 0.000 #kJ/mol # Enthalpy of formation: -791.592 #kJ/mol -analytic -1E+0 0E+0 0E+0 0E+0 0E+0 1.000Mg+2 + 1.000Nta-3 = Mg(Nta)- log_k 6.790 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0 1.000Mg+2 - 1.000H+ + 1.000H2O = Mg(OH)+ log_k -11.680 #97SHO/SAS2 delta_h 62.835 #kJ/mol # Enthalpy of formation: -689.995 #kJ/mol -analytic -6.71797E-1 0E+0 -3.2821E+3 0E+0 0E+0 1.000Mg+2 + 1.000Ox-2 = Mg(Ox) log_k 3.560 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.56E+0 0E+0 0E+0 0E+0 0E+0 1.000Mg+2 + 2.000Ox-2 = Mg(Ox)2-2 log_k 5.170 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.17E+0 0E+0 0E+0 0E+0 0E+0 1.000Mg+2 - 2.000H+ + 1.000H2(PO4)- = Mg(PO4)- log_k -14.710 #81TUR/WHI delta_h 31.170 #kJ/mol #96BOU1 # Enthalpy of formation: -1738.43 #kJ/mol -analytic -9.24926E+0 0E+0 -1.62812E+3 0E+0 0E+0 1.000Mg+2 + 1.000Pyrophos-4 = Mg(Pyrophos)-2 log_k 7.200 #76SMI/MAR delta_h 12.542 #kJ/mol # Enthalpy of formation: -2741.352 #kJ/mol -analytic 9.39726E+0 0E+0 -6.55113E+2 0E+0 0E+0 1.000Mg+2 + 1.000S2O3-2 = Mg(S2O3) log_k 1.820 #76SMI/MAR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.82E+0 0E+0 0E+0 0E+0 0E+0 1.000Mg+2 + 1.000SO4-2 = Mg(SO4) log_k 2.230 #76SMI/MAR delta_h 5.858 #kJ/mol #76SMI/MAR # Enthalpy of formation: -1370.482 #kJ/mol -analytic 3.25628E+0 0E+0 -3.05984E+2 0E+0 0E+0 1.000Mg+2 + 1.000SeO4-2 = Mg(SeO4) log_k 2.200 #05OLI/NOL delta_h -6.614 #kJ/mol # Enthalpy of formation: -1077.114 #kJ/mol -analytic 1.04128E+0 0E+0 3.45473E+2 0E+0 0E+0 1.000Mg+2 + 1.000Succinat-2 = Mg(Succinat) log_k 2.270 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.27E+0 0E+0 0E+0 0E+0 0E+0 4.000Mg+2 - 4.000H+ + 4.000H2O = Mg4(OH)4+4 log_k -39.750 #76BAE/MES delta_h 229.186 #kJ/mol # Enthalpy of formation: -2782.134 #kJ/mol -analytic 4.01605E-1 0E+0 -1.19712E+4 0E+0 0E+0 1.000Mg+2 + 1.000B(OH)4- = MgB(OH)4+ log_k 1.600 #97CRO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.6E+0 0E+0 0E+0 0E+0 0E+0 1.000Mg+2 + 1.000Br- = MgBr+ log_k -0.140 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.4E-1 0E+0 0E+0 0E+0 0E+0 1.000Mg+2 + 1.000Cl- = MgCl+ log_k 0.350 #96BOU1 delta_h -1.729 #kJ/mol # Enthalpy of formation: -635.809 #kJ/mol -analytic 4.70926E-2 0E+0 9.03118E+1 0E+0 0E+0 1.000Mg+2 + 1.000F- = MgF+ log_k 1.800 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; S¿lection de donn¿es thermodynamiques aff¿rentes aux corrections de Temp¿rature sur les principaux ¿quilibres chimiques en milieu naturel delta_h 13.389 #kJ/mol # Enthalpy of formation: -788.961 #kJ/mol -analytic 4.14565E+0 0E+0 -6.99355E+2 0E+0 0E+0 1.000Mg+2 + 1.000I- = MgI+ log_k 0.180 #estimation NEA87 08/2/95 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.8E-1 0E+0 0E+0 0E+0 0E+0 1.000Mg+2 + 2.000I- = MgI2 log_k 0.030 #estimation NEA87 08/2/95 ; # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3E-2 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 + 1.000CO3-2 = Mn(CO3) log_k 6.500 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 + 1.000H+ + 1.000CO3-2 = Mn(HCO3)+ log_k 11.610 #95CHI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.161E+1 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 - 1.000H+ + 1.000H2(PO4)- = Mn(HPO4) log_k -3.260 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.26E+0 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 - 2.000H+ + 2.000H2(PO4)- = Mn(HPO4)2-2 log_k -9.120 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -9.12E+0 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 + 1.000IO3- = Mn(IO3)+ log_k 0.840 #estimation NEA87 08/2/95 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.4E-1 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 + 2.000IO3- = Mn(IO3)2 log_k 0.130 #estimation NEA87 08/2/95 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.3E-1 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 + 1.000NH3 = Mn(NH3)+2 log_k 0.700 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 7E-1 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 + 2.000NH3 = Mn(NH3)2+2 log_k 1.200 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.2E+0 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 + 1.000NO3- = Mn(NO3)+ log_k 0.160 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.6E-1 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 + 2.000NO3- = Mn(NO3)2 log_k 0.500 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5E-1 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 - 1.000H+ + 1.000H2O = Mn(OH)+ log_k -10.590 #95CHI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.059E+1 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 - 2.000H+ + 2.000H2O = Mn(OH)2 log_k -22.200 #95CHI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.22E+1 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 - 3.000H+ + 3.000H2O = Mn(OH)3- log_k -34.800 #95CHI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.48E+1 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 - 4.000H+ + 4.000H2O = Mn(OH)4-2 log_k -48.300 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/91PEA/BER 11891 EN ; Nagra TR 91-18 (mai 1992, Hatches 3.0) (provient de la base 0391 MINEQL- PSY) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.83E+1 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 + 1.000Pyrophos-4 = Mn(Pyrophos)-2 log_k 6.000 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6E+0 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 + 1.000S2O3-2 = Mn(S2O3) log_k 1.900 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.9E+0 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 + 1.000SO4-2 = Mn(SO4) log_k 2.250 #95CHI delta_h 14.100 #kJ/mol # Enthalpy of formation: -1115.99 #kJ/mol -analytic 4.72021E+0 0E+0 -7.36493E+2 0E+0 0E+0 1.000Mn+2 + 1.000Scn- = Mn(Scn)+ log_k 1.400 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.4E+0 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 + 1.000SeO4-2 = Mn(SeO4) log_k 2.430 #05OLI/NOL delta_h -1.282 #kJ/mol # Enthalpy of formation: -825.582 #kJ/mol -analytic 2.2054E+0 0E+0 6.69634E+1 0E+0 0E+0 1.000Mn+2 - 0.500H2O + 1.000H+ + 0.250O2 = Mn+3 log_k -4.015 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.015E+0 0E+0 0E+0 0E+0 0E+0 2.000Mn+2 - 1.000H+ + 1.000H2O = Mn2(OH)+3 log_k -10.100 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.01E+1 0E+0 0E+0 0E+0 0E+0 2.000Mn+2 - 3.000H+ + 3.000H2O = Mn2(OH)3+ log_k -24.900 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.49E+1 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 + 1.000Br- = MnBr+ log_k 0.130 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.3E-1 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 + 1.000Cl- = MnCl+ log_k 0.300 delta_h 18.466 #kJ/mol # Enthalpy of formation: -369.364 #kJ/mol -analytic 3.5351E+0 0E+0 -9.64545E+2 0E+0 0E+0 1.000Mn+2 + 2.000Cl- = MnCl2 log_k 0.250 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.5E-1 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 + 3.000Cl- = MnCl3- log_k -0.310 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.1E-1 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 + 1.000F- = MnF+ log_k 0.850 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.5E-1 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 + 2.000F- = MnF2 log_k 9.040 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.04E+0 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 + 3.000F- = MnF3- log_k 11.640 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.164E+1 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 + 4.000F- = MnF4-2 log_k 13.400 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 + 5.000F- = MnF5-3 log_k 14.700 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.47E+1 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 + 6.000F- = MnF6-4 log_k 15.500 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.55E+1 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 + 1.000I- = MnI+ log_k 0.230 #estimation NEA87 08/2/95 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.3E-1 0E+0 0E+0 0E+0 0E+0 1.000Mn+2 - 3.000H+ + 1.500H2O + 1.250O2 = MnO4- log_k -20.305 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 delta_h 123.253 #kJ/mol # Enthalpy of formation: -541.41 #kJ/mol -analytic 1.28788E+0 0E+0 -6.43792E+3 0E+0 0E+0 1.000Mn+2 - 4.000H+ + 2.000H2O + 1.000O2 = MnO4-2 log_k -32.420 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 delta_h 151.840 #kJ/mol # Enthalpy of formation: -652.704 #kJ/mol -analytic -5.81881E+0 0E+0 -7.93114E+3 0E+0 0E+0 1.000Mn+2 - 5.000H+ + 2.500H2O + 0.750O2 = MnO4-3 log_k -48.515 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.8515E+1 0E+0 0E+0 0E+0 0E+0 5.000H+ + 1.000MoO4-2 - 2.500H2O - 0.750O2 = Mo+3 log_k -42.725 #68SAS/SIL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.2725E+1 0E+0 0E+0 0E+0 0E+0 34.000H+ + 19.000MoO4-2 - 17.000H2O = Mo19O59-4 log_k 196.300 #68SAS/SIL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.963E+2 0E+0 0E+0 0E+0 0E+0 5.000H+ + 2.000MoO4-2 - 2.000H2O = Mo2O5(OH)+ log_k 19.000 #68SAS/SIL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.9E+1 0E+0 0E+0 0E+0 0E+0 11.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O21(OH)3-3 log_k 66.480 #68SAS/SIL, 64AVE/ANA delta_h -222.589 #kJ/mol #68ARN/SZI in 76BAE/MES # Enthalpy of formation: -6058.269 #kJ/mol -analytic 2.74841E+1 0E+0 1.16266E+4 0E+0 0E+0 10.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O22(OH)2-4 log_k 62.710 #68SAS/SIL, 64AVE/ANA delta_h -220.079 #kJ/mol #68ARN/SZI in 76BAE/MES # Enthalpy of formation: -6055.759 #kJ/mol -analytic 2.41539E+1 0E+0 1.14955E+4 0E+0 0E+0 9.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O23(OH)-5 log_k 57.210 #68SAS/SIL, 64AVE/ANA delta_h -223.426 #kJ/mol #68ARN/SZI in 76BAE/MES # Enthalpy of formation: -6059.106 #kJ/mol -analytic 1.80675E+1 0E+0 1.16703E+4 0E+0 0E+0 8.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O24-6 log_k 50.350 #68SAS/SIL, 64AVE/ANA delta_h -234.304 #kJ/mol #68ARN/SZI in 76BAE/MES # Enthalpy of formation: -6069.984 #kJ/mol -analytic 9.30176E+0 0E+0 1.22385E+4 0E+0 0E+0 1.000H+ + 1.000NH3 = NH4+ log_k 9.230 #92GRE/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: -133.26 #kJ/mol #92GRE/FUG -analytic 9.23E+0 0E+0 0E+0 0E+0 0E+0 1.000Na+ + 1.000CO3-2 = Na(CO3)- log_k 1.270 #90NOR/PLU delta_h 37.279 #kJ/mol #90NOR/PLU # Enthalpy of formation: -878.291 #kJ/mol -analytic 7.80099E+0 0E+0 -1.94721E+3 0E+0 0E+0 1.000Na+ + 1.000Edta-4 = Na(Edta)-3 log_k 2.800 #05HUM/AND delta_h -4.000 #kJ/mol # Enthalpy of formation: -1949.14 #kJ/mol -analytic 2.09923E+0 0E+0 2.08934E+2 0E+0 0E+0 1.000Na+ + 1.000H+ + 1.000CO3-2 = Na(HCO3) log_k 10.080 #90NOR/PLU delta_h -26.127 #kJ/mol # Enthalpy of formation: -941.697 #kJ/mol -analytic 5.50275E+0 0E+0 1.36471E+3 0E+0 0E+0 1.000Na+ + 1.000H+ + 1.000Nta-3 = Na(HNta)- log_k 10.320 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.032E+1 0E+0 0E+0 0E+0 0E+0 1.000Na+ - 1.000H+ + 1.000H2(PO4)- = Na(HPO4)- log_k -6.340 #97MAR/SMI delta_h 34.936 #kJ/mol #97MAR/SMI # Enthalpy of formation: -1508.004 #kJ/mol -analytic -2.19485E-1 0E+0 -1.82483E+3 0E+0 0E+0 1.000Na+ + 1.000IO3- = Na(IO3) log_k 0.060 #estimation NEA87 08/2/95 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6E-2 0E+0 0E+0 0E+0 0E+0 1.000Na+ + 1.000Nta-3 = Na(Nta)-2 log_k 1.880 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.88E+0 0E+0 0E+0 0E+0 0E+0 1.000Na+ + 1.000S2O3-2 = Na(S2O3)- log_k 0.610 delta_h 4.656 #kJ/mol # Enthalpy of formation: -887.97 #kJ/mol #82WAG/EVA -analytic 1.42569E+0 0E+0 -2.43199E+2 0E+0 0E+0 2.000Na+ + 1.000Pyrophos-4 = Na2(Pyrophos)-2 log_k 2.290 #76SMI/MAR delta_h 5.858 #kJ/mol #76SMI/MAR # Enthalpy of formation: -2761.716 #kJ/mol -analytic 3.31628E+0 0E+0 -3.05984E+2 0E+0 0E+0 1.000Na+ + 1.000Al+3 - 4.000H+ + 4.000H2O = NaAl(OH)4 log_k -23.630 delta_h 190.348 #kJ/mol # Enthalpy of formation: -1731.712 #kJ/mol #95POK/HEL -analytic 9.71749E+0 0E+0 -9.94255E+3 0E+0 0E+0 1.000Na+ + 1.000B(OH)4- = NaB(OH)4 log_k -0.100 delta_h 1.226 #kJ/mol # Enthalpy of formation: -1584.23 #kJ/mol -analytic 1.14786E-1 0E+0 -6.40383E+1 0E+0 0E+0 1.000Na+ + 1.000F- = NaF log_k -0.450 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; S¿lection de donn¿es thermodynamiques aff¿rentes aux corrections de Temp¿rature sur les principaux ¿quilibres chimiques en milieu naturel delta_h -12.552 #kJ/mol # Enthalpy of formation: -588.242 #kJ/mol -analytic -2.64901E+0 0E+0 6.55636E+2 0E+0 0E+0 1.000Na+ + 1.000H2(PO4)- = NaH2PO4 log_k 0.410 #97MAR/SMI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.1E-1 0E+0 0E+0 0E+0 0E+0 1.000Na+ + 1.000I- = NaI log_k -1.520 #estimation NEA87 08/2/95 delta_h 7.252 #kJ/mol # Enthalpy of formation: -289.868 #kJ/mol -analytic -2.49506E-1 0E+0 -3.78798E+2 0E+0 0E+0 1.000Na+ - 2.000H+ + 1.000H2(PO4)- = NaPO4-2 log_k -18.070 #97MAR/SMI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.807E+1 0E+0 0E+0 0E+0 0E+0 3.000H+ + 1.000Nb(OH)6- - 3.000H2O = Nb(OH)3+2 log_k 7.500 #97PEI/NGU delta_h -10.230 #kJ/mol #97PEI/NGU # Enthalpy of formation: -1078.405 #kJ/mol -analytic 5.70778E+0 0E+0 5.34349E+2 0E+0 0E+0 2.000H+ + 1.000Nb(OH)6- - 2.000H2O = Nb(OH)4+ log_k 6.640 #97PEI/NGU delta_h -35.350 #kJ/mol #97PEI/NGU # Enthalpy of formation: -1389.355 #kJ/mol -analytic 4.46955E-1 0E+0 1.84646E+3 0E+0 0E+0 1.000H+ + 1.000Nb(OH)6- - 1.000H2O = Nb(OH)5 log_k 5.080 #97PEI/NGU delta_h -13.390 #kJ/mol #97PEI/NGU # Enthalpy of formation: -1653.225 #kJ/mol -analytic 2.73418E+0 0E+0 6.99407E+2 0E+0 0E+0 - 1.000H+ + 1.000Nb(OH)6- + 1.000H2O = Nb(OH)7-2 log_k -8.880 #97PEI/NGU delta_h 10.170 #kJ/mol #97PEI/NGU # Enthalpy of formation: -2201.325 #kJ/mol -analytic -7.0983E+0 0E+0 -5.31215E+2 0E+0 0E+0 5.000H+ + 1.000Nb(OH)6- + 1.000Cit-3 - 4.000H2O = NbO2(H3Cit)+ log_k 25.640 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.564E+1 0E+0 0E+0 0E+0 0E+0 3.000H+ + 1.000Nb(OH)6- + 1.000Ox-2 - 4.000H2O = NbO2(HOx) log_k 13.700 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.37E+1 0E+0 0E+0 0E+0 0E+0 4.000H+ + 1.000Nb(OH)6- + 2.000Ox-2 - 4.000H2O = NbO2(HOx)2- log_k 20.960 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.096E+1 0E+0 0E+0 0E+0 0E+0 2.000H+ + 1.000Nb(OH)6- + 1.000Ox-2 - 4.000H2O = NbO2(Ox)- log_k 10.940 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.094E+1 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 1.000Acetate- = Ni(Acetate)+ log_k 1.340 #11RIC/GRI delta_h -28.257 #kJ/mol # Enthalpy of formation: -569.279 #kJ/mol -analytic -3.61041E+0 0E+0 1.47596E+3 0E+0 0E+0 1.000Ni+2 + 1.000CO3-2 = Ni(CO3) log_k 4.200 #03BAE/BRA in 05GAM/BUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.2E+0 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 2.000CO3-2 = Ni(CO3)2-2 log_k 6.200 #03BAE/BRA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.2E+0 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 1.000Cit-3 = Ni(Cit)- log_k 6.760 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.76E+0 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 2.000Cit-3 = Ni(Cit)2-4 log_k 8.500 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 4.000Cn- = Ni(Cn)4-2 log_k 30.200 delta_h -180.700 #kJ/mol #05GAM/BUG # Enthalpy of formation: 353.688 #kJ/mol -analytic -1.45723E+0 0E+0 9.4386E+3 0E+0 0E+0 1.000Ni+2 + 5.000Cn- = Ni(Cn)5-3 log_k 28.500 delta_h -191.100 #kJ/mol #05GAM/BUG # Enthalpy of formation: 490.638 #kJ/mol -analytic -4.97923E+0 0E+0 9.98183E+3 0E+0 0E+0 1.000Ni+2 + 1.000Edta-4 = Ni(Edta)-2 log_k 20.540 #05HUM/AND delta_h -26.100 #kJ/mol # Enthalpy of formation: -1785.912 #kJ/mol -analytic 1.59675E+1 0E+0 1.3633E+3 0E+0 0E+0 1.000Ni+2 + 2.000H+ + 1.000Cit-3 = Ni(H2Cit)+ log_k 13.190 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.319E+1 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 1.000H+ + 1.000CO3-2 = Ni(HCO3)+ log_k 11.730 #03BAE/BRA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.173E+1 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 1.000H+ + 1.000Cit-3 = Ni(HCit) log_k 10.520 #05HUM/BER # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.052E+1 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 1.000H+ + 1.000Edta-4 = Ni(HEdta)- log_k 24.200 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.42E+1 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 1.000HIsa- = Ni(HIsa)+ log_k 2.800 #12GRI/GAR2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 - 1.000H+ + 1.000H2(PO4)- = Ni(HPO4) log_k -4.160 #05GAM/BUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.16E+0 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 2.000HS- = Ni(HS)2 log_k 11.100 #02HUM/BER # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.11E+1 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 1.000Malonate-2 = Ni(Malonate) log_k 4.390 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.39E+0 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 2.000Malonate-2 = Ni(Malonate)2-2 log_k 8.150 #98KHA/RAD # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.15E+0 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 1.000NH3 = Ni(NH3)+2 log_k 2.610 #70LET # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.61E+0 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 2.000NH3 = Ni(NH3)2+2 log_k 4.760 #70LET # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.76E+0 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 3.000NH3 = Ni(NH3)3+2 log_k 6.790 #70LET # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 4.000NH3 = Ni(NH3)4+2 log_k 8.340 #70LET # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.34E+0 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 1.000NO3- = Ni(NO3)+ log_k 0.500 #05GAM/BUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5E-1 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 2.000NO3- = Ni(NO3)2 log_k -0.600 #76SMI/MAR in 89BAE/McK # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6E-1 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 1.000Nta-3 = Ni(Nta)- log_k 12.750 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.275E+1 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 2.000Nta-3 = Ni(Nta)2-4 log_k 16.950 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.695E+1 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Ni(OH)(Nta)-2 log_k 1.470 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.47E+0 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 - 1.000H+ + 1.000H2O = Ni(OH)+ log_k -9.540 #05GAM/BUG delta_h 53.800 #kJ/mol #05GAM/BUG # Enthalpy of formation: -287.042 #kJ/mol -analytic -1.14658E-1 0E+0 -2.81017E+3 0E+0 0E+0 1.000Ni+2 - 2.000H+ + 2.000H2O = Ni(OH)2 log_k -18.000 #49GAY/GAR reevaluated in 05GAM/BUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.8E+1 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 - 3.000H+ + 1.000H2(PO4)- + 2.000H2O = Ni(OH)2(HPO4)-2 log_k -23.240 #95LEM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.324E+1 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 1.000HIsa- + 3.000H2O - 3.000H+ = Ni(OH)3(HIsa)-2 log_k -26.500 #12GRI/GAR2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.65E+1 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 - 3.000H+ + 3.000H2O = Ni(OH)3- log_k -29.380 #49GAY/GAR reevaluated in 05GAM/BUG delta_h 121.200 #kJ/mol #05GAM/BUG # Enthalpy of formation: -791.302 #kJ/mol -analytic -8.1467E+0 0E+0 -6.33071E+3 0E+0 0E+0 1.000Ni+2 + 1.000Ox-2 = Ni(Ox) log_k 5.190 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: -885.672 #kJ/mol -analytic 5.19E+0 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 2.000Ox-2 = Ni(Ox)2-2 log_k 7.640 #05HUM/AND delta_h -7.800 #kJ/mol # Enthalpy of formation: -1724.132 #kJ/mol -analytic 6.2735E+0 0E+0 4.07422E+2 0E+0 0E+0 1.000Ni+2 + 1.000Phthalat-2 = Ni(Phthalat) log_k 3.000 #11GRI/COL3 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3E+0 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 1.000Pyrophos-4 = Ni(Pyrophos)-2 log_k 8.730 #05GAM/BUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.73E+0 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 1.000S2O3-2 = Ni(S2O3) log_k 2.060 #51DEU/HEI in 64SIL/MAR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.06E+0 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 1.000SO4-2 = Ni(SO4) log_k 2.350 #05GAM/BUG delta_h 5.660 #kJ/mol #05GAM/BUG # Enthalpy of formation: -958.692 #kJ/mol -analytic 3.34159E+0 0E+0 -2.95642E+2 0E+0 0E+0 1.000Ni+2 + 2.000SO4-2 = Ni(SO4)2-2 log_k 3.010 #89BAE/McK # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.01E+0 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 1.000Scn- = Ni(Scn)+ log_k 1.810 delta_h -11.800 #kJ/mol #05GAM/BUG # Enthalpy of formation: 9.588 #kJ/mol -analytic -2.57268E-1 0E+0 6.16356E+2 0E+0 0E+0 1.000Ni+2 + 2.000Scn- = Ni(Scn)2 log_k 2.690 delta_h -21.000 #kJ/mol #05GAM/BUG # Enthalpy of formation: 76.788 #kJ/mol -analytic -9.89037E-1 0E+0 1.0969E+3 0E+0 0E+0 1.000Ni+2 + 3.000Scn- = Ni(Scn)3- log_k 3.020 delta_h -29.000 #kJ/mol #05GAM/BUG # Enthalpy of formation: 145.188 #kJ/mol -analytic -2.06057E+0 0E+0 1.51477E+3 0E+0 0E+0 1.000Ni+2 + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = Ni(SeCn)+ log_k 57.790 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.779E+1 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 = Ni(SeCn)2 log_k 114.270 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.1427E+2 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 1.000SeO4-2 = Ni(SeO4) log_k 2.670 #05OLI/NOL delta_h -0.675 #kJ/mol # Enthalpy of formation: -659.187 #kJ/mol -analytic 2.55175E+0 0E+0 3.52577E+1 0E+0 0E+0 2.000Ni+2 - 1.000H+ + 1.000H2O = Ni2(OH)+3 log_k -10.600 #05GAM/BUG delta_h 45.900 #kJ/mol #05GAM/BUG # Enthalpy of formation: -349.954 #kJ/mol -analytic -2.55868E+0 0E+0 -2.39752E+3 0E+0 0E+0 4.000Ni+2 - 4.000H+ + 4.000H2O = Ni4(OH)4+4 log_k -27.520 #05GAM/BUG delta_h 190.000 #kJ/mol #05GAM/BUG # Enthalpy of formation: -1173.368 #kJ/mol -analytic 5.76652E+0 0E+0 -9.92438E+3 0E+0 0E+0 1.000Ni+2 + 1.000Cl- = NiCl+ log_k 0.080 #05GAM/BUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8E-2 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 1.000F- = NiF+ log_k 1.430 #05GAM/BUG delta_h 9.500 #kJ/mol #05GAM/BUG # Enthalpy of formation: -380.862 #kJ/mol -analytic 3.09433E+0 0E+0 -4.96219E+2 0E+0 0E+0 1.000Ni+2 + 1.000H+ + 1.000AsO4-3 = NiHAsO4 log_k 14.500 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.45E+1 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 1.000H+ + 1.000Pyrophos-4 = NiHPyrophos- log_k 14.540 #05GAM/BUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.454E+1 0E+0 0E+0 0E+0 0E+0 1.000Ni+2 + 1.000HS- = NiHS+ log_k 5.500 #02HUM/BER # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.5E+0 0E+0 0E+0 0E+0 0E+0 1.000Np+4 + 1.000Acetate- = Np(Acetate)+3 log_k 5.830 #12GRI/GAR2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.83E+0 0E+0 0E+0 0E+0 0E+0 1.000Np+4 + 2.000Acetate- = Np(Acetate)2+2 log_k 10.000 #11RIC/GRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1E+1 0E+0 0E+0 0E+0 0E+0 1.000Np+4 - 3.000H+ + 1.000CO3-2 + 3.000H2O = Np(CO3)(OH)3- log_k 3.820 #93ERI/NDA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.82E+0 0E+0 0E+0 0E+0 0E+0 1.000Np+3 + 1.000CO3-2 = Np(CO3)+ log_k 7.670 #Estimated by correlation with An(III) in function of ionic radii delta_h 156.370 #kJ/mol # Enthalpy of formation: -1046.044 #kJ/mol -analytic 3.50648E+1 0E+0 -8.16776E+3 0E+0 0E+0 1.000Np+3 + 2.000CO3-2 = Np(CO3)2- log_k 12.600 #Estimated by correlation with An(III) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0 1.000Np+3 + 3.000CO3-2 = Np(CO3)3-3 log_k 15.660 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.566E+1 0E+0 0E+0 0E+0 0E+0 1.000Np+4 + 4.000CO3-2 = Np(CO3)4-4 log_k 36.680 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.668E+1 0E+0 0E+0 0E+0 0E+0 1.000Np+4 + 5.000CO3-2 = Np(CO3)5-6 log_k 35.610 #01LEM/FUG delta_h -1.612 #kJ/mol # Enthalpy of formation: -3933.784 #kJ/mol -analytic 3.53276E+1 0E+0 8.42005E+1 0E+0 0E+0 1.000Np+4 + 1.000Edta-4 = Np(Edta) log_k 31.200 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.12E+1 0E+0 0E+0 0E+0 0E+0 1.000Np+3 + 1.000Edta-4 = Np(Edta)- log_k 19.900 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.99E+1 0E+0 0E+0 0E+0 0E+0 1.000Np+3 - 2.000H+ + 2.000H2(PO4)- = Np(HPO4)2- log_k -5.380 #Estimated by correlation with An(III) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -5.38E+0 0E+0 0E+0 0E+0 0E+0 1.000Np+4 + 1.000NO3- = Np(NO3)+3 log_k 1.900 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.9E+0 0E+0 0E+0 0E+0 0E+0 1.000Np+3 + 1.000Nta-3 = Np(Nta) log_k 13.000 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0 1.000Np+4 + 1.000Nta-3 = Np(Nta)+ log_k 20.700 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.07E+1 0E+0 0E+0 0E+0 0E+0 1.000Np+4 + 2.000Nta-3 = Np(Nta)2-2 log_k 36.300 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.63E+1 0E+0 0E+0 0E+0 0E+0 1.000Np+3 - 1.000H+ + 1.000H2O = Np(OH)+2 log_k -6.800 #01LEM/FUG delta_h 77.089 #kJ/mol # Enthalpy of formation: -735.925 #kJ/mol -analytic 6.70539E+0 0E+0 -4.02663E+3 0E+0 0E+0 1.000Np+4 - 1.000H+ + 1.000H2O = Np(OH)+3 log_k 0.550 #03GUI/FAN delta_h 38.192 #kJ/mol # Enthalpy of formation: -803.66 #kJ/mol -analytic 7.24094E+0 0E+0 -1.9949E+3 0E+0 0E+0 1.000Np+4 - 2.000H+ + 2.000CO3-2 + 2.000H2O = Np(OH)2(CO3)2-2 log_k 15.170 #99RAI/HES2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.517E+1 0E+0 0E+0 0E+0 0E+0 1.000Np+3 - 2.000H+ + 2.000H2O = Np(OH)2+ log_k -17.000 #80ALL/KIP delta_h 155.529 #kJ/mol # Enthalpy of formation: -943.315 #kJ/mol -analytic 1.02475E+1 0E+0 -8.12383E+3 0E+0 0E+0 1.000Np+4 - 2.000H+ + 2.000H2O = Np(OH)2+2 log_k 0.350 #03GUI/FAN delta_h 54.530 #kJ/mol # Enthalpy of formation: -1073.152 #kJ/mol -analytic 9.90323E+0 0E+0 -2.8483E+3 0E+0 0E+0 1.000Np+3 - 3.000H+ + 3.000H2O = Np(OH)3 log_k -27.000 #80ALL/KIP delta_h 235.824 #kJ/mol # Enthalpy of formation: -1148.85 #kJ/mol -analytic 1.43145E+1 0E+0 -1.23179E+4 0E+0 0E+0 1.000Np+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = Np(OH)3(HGlu) log_k 3.270 #06GAO/MON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0 1.000Np+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = Np(OH)3(HIsa) log_k 3.270 #06GAO/MON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0 1.000Np+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = Np(OH)3(HIsa)2- log_k 5.380 #06GAO/MON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.38E+0 0E+0 0E+0 0E+0 0E+0 1.000Np+4 - 3.000H+ + 3.000H2O = Np(OH)3+ log_k -2.800 #01NEC/KIM, 99NEC delta_h 74.932 #kJ/mol # Enthalpy of formation: -1338.58 #kJ/mol -analytic 1.03275E+1 0E+0 -3.91397E+3 0E+0 0E+0 1.000Np+4 - 4.000H+ + 4.000H2O = Np(OH)4 log_k -8.300 #03GUI/FAN delta_h 101.442 #kJ/mol # Enthalpy of formation: -1597.9 #kJ/mol -analytic 9.47185E+0 0E+0 -5.29868E+3 0E+0 0E+0 1.000Np+4 - 4.000H+ + 1.000CO3-2 + 4.000H2O = Np(OH)4(CO3)-2 log_k -6.830 #93ERI/NDA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6.83E+0 0E+0 0E+0 0E+0 0E+0 1.000Np+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = Np(OH)4(HGlu)- log_k -3.700 #06GAO/MON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.7E+0 0E+0 0E+0 0E+0 0E+0 1.000Np+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = Np(OH)4(HIsa)- log_k -4.060 #06GAO/MON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.06E+0 0E+0 0E+0 0E+0 0E+0 1.000Np+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = Np(OH)4(HIsa)2-2 log_k -2.200 #06GAO/MON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.2E+0 0E+0 0E+0 0E+0 0E+0 1.000Np+4 + 1.000Ox-2 = Np(Ox)+2 log_k 11.160 #12GRI/GAR2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.116E+1 0E+0 0E+0 0E+0 0E+0 1.000Np+4 + 2.000Ox-2 = Np(Ox)2 log_k 19.940 #12GRI/GAR2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.994E+1 0E+0 0E+0 0E+0 0E+0 1.000Np+4 + 3.000Ox-2 = Np(Ox)3-2 log_k 25.190 #12GRI/GAR2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.519E+1 0E+0 0E+0 0E+0 0E+0 1.000Np+3 - 4.000H+ + 2.000H2(PO4)- = Np(PO4)2-3 log_k -19.570 #Estimated by correlation with An(III) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.957E+1 0E+0 0E+0 0E+0 0E+0 1.000Np+3 + 1.000SO4-2 = Np(SO4)+ log_k 3.860 #Estimated by correlation with An(III) in function of ionic radii delta_h 17.889 #kJ/mol # Enthalpy of formation: -1418.638 #kJ/mol -analytic 6.99401E+0 0E+0 -9.34406E+2 0E+0 0E+0 1.000Np+4 + 1.000SO4-2 = Np(SO4)+2 log_k 6.850 #01LEM/FUG delta_h 29.840 #kJ/mol #01LEM/FUG # Enthalpy of formation: -1435.522 #kJ/mol #01LEM/FUG -analytic 1.20777E+1 0E+0 -1.55865E+3 0E+0 0E+0 1.000Np+4 + 2.000SO4-2 = Np(SO4)2 log_k 11.050 #01LEM/FUG delta_h 55.380 #kJ/mol #01LEM/FUG # Enthalpy of formation: -2319.322 #kJ/mol -analytic 2.07521E+1 0E+0 -2.89269E+3 0E+0 0E+0 1.000Np+3 + 2.000SO4-2 = Np(SO4)2- log_k 5.560 #Estimated by correlation with An(III) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.56E+0 0E+0 0E+0 0E+0 0E+0 1.000Np+4 + 1.000Br- = NpBr+3 log_k 1.550 #Estimated by correlation with An(IV) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.55E+0 0E+0 0E+0 0E+0 0E+0 1.000Np+4 + 1.000Cl- = NpCl+3 log_k 1.500 #01LEM/FUG delta_h 24.173 #kJ/mol # Enthalpy of formation: -698.929 #kJ/mol -analytic 5.73492E+0 0E+0 -1.26264E+3 0E+0 0E+0 1.000Np+4 + 1.000F- = NpF+3 log_k 8.960 #01LEM/FUG delta_h 1.500 #kJ/mol #01LEM/FUG # Enthalpy of formation: -889.872 #kJ/mol -analytic 9.22279E+0 0E+0 -7.83503E+1 0E+0 0E+0 1.000Np+4 + 2.000F- = NpF2+2 log_k 15.700 #01LEM/FUG delta_h 15.930 #kJ/mol # Enthalpy of formation: -1210.792 #kJ/mol -analytic 1.84908E+1 0E+0 -8.32081E+2 0E+0 0E+0 1.000Np+4 + 3.000F- = NpF3+ log_k 20.050 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.005E+1 0E+0 0E+0 0E+0 0E+0 1.000Np+4 + 4.000F- = NpF4 log_k 25.950 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.595E+1 0E+0 0E+0 0E+0 0E+0 1.000Np+3 - 1.000H+ + 1.000H2(PO4)- = NpHPO4+ log_k -1.780 #Estimated by correlation with An(III) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.78E+0 0E+0 0E+0 0E+0 0E+0 1.000Np+4 + 1.000I- = NpI+3 log_k 1.500 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0 1.000NpO2+ + 1.000Acetate- = NpO2(Acetate) log_k 1.320 #11RIC/GRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.32E+0 0E+0 0E+0 0E+0 0E+0 1.000NpO2+ + 2.000Acetate- = NpO2(Acetate)2- log_k 3.420 #09TAK/TAK # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.42E+0 0E+0 0E+0 0E+0 0E+0 1.000NpO2+ + 3.000Acetate- = NpO2(Acetate)3-2 log_k 3.570 #09TAK/TAK # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.57E+0 0E+0 0E+0 0E+0 0E+0 1.000NpO2+2 + 1.000CO3-2 = NpO2(CO3) log_k 9.320 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.32E+0 0E+0 0E+0 0E+0 0E+0 1.000NpO2+2 - 2.000H+ + 1.000CO3-2 + 2.000H2O = NpO2(CO3)(OH)2-2 log_k -7.690 #99CHO/BRO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -7.69E+0 0E+0 0E+0 0E+0 0E+0 1.000NpO2+ + 1.000CO3-2 = NpO2(CO3)- log_k 4.960 #01LEM/FUG delta_h 59.904 #kJ/mol # Enthalpy of formation: -1593.507 #kJ/mol -analytic 1.54547E+1 0E+0 -3.129E+3 0E+0 0E+0 1.000NpO2+2 + 2.000CO3-2 = NpO2(CO3)2-2 log_k 16.520 #01LEM/FUG delta_h 13.776 #kJ/mol # Enthalpy of formation: -2197.417 #kJ/mol -analytic 1.89334E+1 0E+0 -7.1957E+2 0E+0 0E+0 1.000NpO2+ + 2.000CO3-2 = NpO2(CO3)2-3 log_k 6.530 #01LEM/FUG delta_h 39.027 #kJ/mol # Enthalpy of formation: -2289.614 #kJ/mol -analytic 1.33672E+1 0E+0 -2.03852E+3 0E+0 0E+0 1.000NpO2+ - 1.000H+ + 2.000CO3-2 + 1.000H2O = NpO2(CO3)2OH-4 log_k -5.310 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -5.31E+0 0E+0 0E+0 0E+0 0E+0 1.000NpO2+2 + 3.000CO3-2 = NpO2(CO3)3-4 log_k 19.370 delta_h -41.900 #kJ/mol # Enthalpy of formation: -2928.323 #kJ/mol #01LEM/FUG -analytic 1.20294E+1 0E+0 2.18859E+3 0E+0 0E+0 1.000NpO2+ + 3.000CO3-2 = NpO2(CO3)3-5 log_k 5.500 delta_h -13.249 #kJ/mol # Enthalpy of formation: -3017.12 #kJ/mol #01LEM/FUG -analytic 3.17888E+0 0E+0 6.92042E+2 0E+0 0E+0 1.000NpO2+ + 1.000Cit-3 = NpO2(Cit)-2 log_k 3.680 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.68E+0 0E+0 0E+0 0E+0 0E+0 1.000NpO2+ + 1.000Edta-4 = NpO2(Edta)-3 log_k 9.230 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.23E+0 0E+0 0E+0 0E+0 0E+0 1.000NpO2+ + 2.000H+ + 1.000Edta-4 = NpO2(H2Edta)- log_k 22.510 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.251E+1 0E+0 0E+0 0E+0 0E+0 1.000NpO2+ + 1.000H+ + 1.000Edta-4 = NpO2(HEdta)-2 log_k 17.060 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.706E+1 0E+0 0E+0 0E+0 0E+0 1.000NpO2+ + 1.000H+ + 1.000Nta-3 = NpO2(HNta)- log_k 11.700 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.17E+1 0E+0 0E+0 0E+0 0E+0 1.000NpO2+2 - 1.000H+ + 1.000H2(PO4)- = NpO2(HPO4) log_k -1.010 #01LEM/FUG delta_h 92.209 #kJ/mol # Enthalpy of formation: -2071.124 #kJ/mol -analytic 1.51443E+1 0E+0 -4.8164E+3 0E+0 0E+0 1.000NpO2+2 - 2.000H+ + 2.000H2(PO4)- = NpO2(HPO4)2-2 log_k -4.920 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.92E+0 0E+0 0E+0 0E+0 0E+0 1.000NpO2+2 + 1.000NO3- = NpO2(NO3)+ log_k 0.100 #12GRI/GAR2 in analogy to UO2(NO3)+ # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1E-1 0E+0 0E+0 0E+0 0E+0 1.000NpO2+2 + 1.000Nta-3 = NpO2(Nta)- log_k 11.000 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0 1.000NpO2+ + 1.000Nta-3 = NpO2(Nta)-2 log_k 7.460 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 7.46E+0 0E+0 0E+0 0E+0 0E+0 1.000NpO2+ - 1.000H+ + 1.000H2O = NpO2(OH) log_k -11.300 #01LEM/FUG delta_h 64.785 #kJ/mol # Enthalpy of formation: -1199.226 #kJ/mol -analytic 4.98281E-2 0E+0 -3.38395E+3 0E+0 0E+0 1.000NpO2+ - 1.000H+ + 1.000Nta-3 + 1.000H2O = NpO2(OH)(Nta)-3 log_k -4.700 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.7E+0 0E+0 0E+0 0E+0 0E+0 1.000NpO2+2 - 1.000H+ + 1.000H2O = NpO2(OH)+ log_k -5.100 #01LEM/FUG delta_h 42.957 #kJ/mol # Enthalpy of formation: -1103.606 #kJ/mol -analytic 2.42573E+0 0E+0 -2.2438E+3 0E+0 0E+0 1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2 log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0 1.000NpO2+ - 2.000H+ + 2.000H2O = NpO2(OH)2- log_k -23.600 #01LEM/FUG delta_h 118.610 #kJ/mol # Enthalpy of formation: -1431.23 #kJ/mol -analytic -2.82045E+0 0E+0 -6.19542E+3 0E+0 0E+0 1.000NpO2+ + 1.000Ox-2 = NpO2(Ox)- log_k 3.900 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0 1.000NpO2+ + 2.000Ox-2 = NpO2(Ox)2-3 log_k 5.800 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.8E+0 0E+0 0E+0 0E+0 0E+0 1.000NpO2+2 + 1.000SO4-2 = NpO2(SO4) log_k 3.280 #01LEM/FUG delta_h 16.700 #kJ/mol #01LEM/FUG # Enthalpy of formation: -1753.373 #kJ/mol -analytic 6.20571E+0 0E+0 -8.723E+2 0E+0 0E+0 1.000NpO2+ + 1.000SO4-2 = NpO2(SO4)- log_k 0.440 #01LEM/FUG delta_h 23.200 #kJ/mol #01LEM/FUG # Enthalpy of formation: -1864.321 #kJ/mol -analytic 4.50446E+0 0E+0 -1.21182E+3 0E+0 0E+0 1.000NpO2+2 + 2.000SO4-2 = NpO2(SO4)2-2 log_k 4.700 #01LEM/FUG delta_h 26.000 #kJ/mol #01LEM/FUG # Enthalpy of formation: -2653.413 #kJ/mol -analytic 9.255E+0 0E+0 -1.35807E+3 0E+0 0E+0 1.000NpO2+ + 1.000Cl- = NpO2Cl log_k -0.930 #94NEC/KIM delta_h 25.972 #kJ/mol # Enthalpy of formation: -1119.289 #kJ/mol -analytic 3.62009E+0 0E+0 -1.35661E+3 0E+0 0E+0 1.000NpO2+2 + 1.000Cl- = NpO2Cl+ log_k 0.400 #01LEM/FUG delta_h 8.387 #kJ/mol # Enthalpy of formation: -1019.426 #kJ/mol -analytic 1.86934E+0 0E+0 -4.38083E+2 0E+0 0E+0 1.000NpO2+ + 1.000F- = NpO2F log_k 1.200 #01LEM/FUG delta_h 40.768 #kJ/mol # Enthalpy of formation: -1272.763 #kJ/mol -analytic 8.34224E+0 0E+0 -2.12946E+3 0E+0 0E+0 1.000NpO2+2 + 1.000F- = NpO2F+ log_k 4.570 #01LEM/FUG delta_h 1.400 #kJ/mol # Enthalpy of formation: -1194.683 #kJ/mol -analytic 4.81527E+0 0E+0 -7.3127E+1 0E+0 0E+0 1.000NpO2+2 + 2.000F- = NpO2F2 log_k 7.600 #01LEM/FUG delta_h 4.321 #kJ/mol # Enthalpy of formation: -1527.112 #kJ/mol -analytic 8.35701E+0 0E+0 -2.25701E+2 0E+0 0E+0 1.000NpO2+2 + 1.000H2(PO4)- = NpO2H2PO4+ log_k 3.320 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.32E+0 0E+0 0E+0 0E+0 0E+0 1.000NpO2+ - 1.000H+ + 1.000H2(PO4)- = NpO2HPO4- log_k -4.260 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.26E+0 0E+0 0E+0 0E+0 0E+0 1.000Np+3 - 2.000H+ + 1.000H2(PO4)- = NpPO4 log_k -7.830 #Estimated by correlation with An(III) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -7.83E+0 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 1.000H2O = OH- log_k -14.000 delta_h 55.815 #kJ/mol # Enthalpy of formation: -230.015 #kJ/mol #89COX/WAG -analytic -4.22165E+0 0E+0 -2.91542E+3 0E+0 0E+0 - 2.000H+ + 1.000H2(PO4)- = PO4-3 log_k -19.560 #89COX/WAG # delta_h 0.000 #kJ/mol # Enthalpy of formation: -1284.4 #kJ/mol #89COX/WAG -analytic -1.956E+1 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 1.000Pa+4 + 1.000H2O = Pa(OH)+3 log_k 0.840 #76BAE/MES # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.4E-1 0E+0 0E+0 0E+0 0E+0 - 2.000H+ + 1.000Pa+4 + 2.000H2O = Pa(OH)2+2 log_k -0.020 #76BAE/MES # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2E-2 0E+0 0E+0 0E+0 0E+0 - 3.000H+ + 1.000Pa+4 + 3.000H2O = Pa(OH)3+ log_k -1.500 #76BAE/MES # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000PaO2+ = PaO(OH)+2 log_k 1.250 #Original data 03TRU/LEN and 04FOU/PER delta_h -5.700 #kJ/mol #03TRU/LEN # Enthalpy of formation: #kJ/mol -analytic 2.51404E-1 0E+0 2.97731E+2 0E+0 0E+0 2.000H+ + 1.000SO4-2 + 1.000PaO2+ - 1.000H2O = PaO(SO4)+ log_k 5.130 #07GIA/TRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.13E+0 0E+0 0E+0 0E+0 0E+0 2.000H+ + 2.000SO4-2 + 1.000PaO2+ - 1.000H2O = PaO(SO4)2- log_k 8.240 #07GIA/TRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.24E+0 0E+0 0E+0 0E+0 0E+0 2.000H+ + 3.000SO4-2 + 1.000PaO2+ - 1.000H2O = PaO(SO4)3-3 log_k 9.830 #07GIA/TRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.83E+0 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 1.000PaO2+ + 1.000H2O = PaO2(OH) log_k -7.000 #Original data 03TRU/LEN and 04FOU/PER delta_h 61.000 #kJ/mol #03TRU/LEN # Enthalpy of formation: #kJ/mol -analytic 3.68673E+0 0E+0 -3.18625E+3 0E+0 0E+0 - 2.000H+ + 1.000PaO2+ + 2.000H2O = PaO2(OH)2- log_k -16.400 #04FOU/PER # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.64E+1 0E+0 0E+0 0E+0 0E+0 1.000Pb+2 + 1.000B(OH)4- = Pb(B(OH)4)+ log_k 5.200 #80BAS # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.2E+0 0E+0 0E+0 0E+0 0E+0 1.000Pb+2 + 3.000B(OH)4- = Pb(B(OH)4)3- log_k 11.180 #80BAS # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.118E+1 0E+0 0E+0 0E+0 0E+0 1.000Pb+2 + 1.000CO3-2 = Pb(CO3) log_k 7.000 #06BLA/PIA delta_h -3.015 #kJ/mol # Enthalpy of formation: -677.325 #kJ/mol -analytic 6.4718E+0 0E+0 1.57484E+2 0E+0 0E+0 1.000Pb+2 + 2.000CO3-2 = Pb(CO3)2-2 log_k 10.130 #99LOT/OCH # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.013E+1 0E+0 0E+0 0E+0 0E+0 1.000Pb+2 + 1.000H2(PO4)- = Pb(H2PO4)+ log_k 1.500 #74NRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0 1.000Pb+2 + 2.000HS- = Pb(HS)2 log_k 15.010 #06BLA/PIA delta_h -65.579 #kJ/mol # Enthalpy of formation: -97.259 #kJ/mol -analytic 3.52107E+0 0E+0 3.42542E+3 0E+0 0E+0 1.000Pb+2 + 3.000HS- = Pb(HS)3- log_k 16.260 #06BLA/PIA delta_h -73.328 #kJ/mol # Enthalpy of formation: -121.308 #kJ/mol -analytic 3.4135E+0 0E+0 3.83018E+3 0E+0 0E+0 1.000Pb+2 + 1.000NO3- = Pb(NO3)+ log_k 1.060 #99LOT/OCH # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.06E+0 0E+0 0E+0 0E+0 0E+0 1.000Pb+2 + 2.000NO3- = Pb(NO3)2 log_k 1.480 #99LOT/OCH delta_h -11.012 #kJ/mol # Enthalpy of formation: 401.768 #kJ/mol -analytic -4.49217E-1 0E+0 5.75196E+2 0E+0 0E+0 1.000Pb+2 - 1.000H+ + 1.000H2O = Pb(OH)+ log_k -7.510 #99LOT/OCH delta_h 53.920 #kJ/mol # Enthalpy of formation: -230.99 #kJ/mol -analytic 1.93636E+0 0E+0 -2.81643E+3 0E+0 0E+0 1.000Pb+2 - 2.000H+ + 2.000H2O = Pb(OH)2 log_k -16.950 #99LOT/OCH delta_h 97.824 #kJ/mol # Enthalpy of formation: -472.916 #kJ/mol -analytic 1.88004E-1 0E+0 -5.1097E+3 0E+0 0E+0 1.000Pb+2 - 3.000H+ + 3.000H2O = Pb(OH)3- log_k -27.200 #01PER/HEF delta_h 130.485 #kJ/mol # Enthalpy of formation: -726.085 #kJ/mol -analytic -4.34004E+0 0E+0 -6.8157E+3 0E+0 0E+0 1.000Pb+2 - 4.000H+ + 4.000H2O = Pb(OH)4-2 log_k -38.900 #01PER/HEF delta_h 197.474 #kJ/mol # Enthalpy of formation: -944.926 #kJ/mol -analytic -4.30409E+0 0E+0 -1.03148E+4 0E+0 0E+0 1.000Pb+2 + 1.000SO4-2 = Pb(SO4) log_k 2.820 #99LOT/OCH delta_h 6.861 #kJ/mol # Enthalpy of formation: -901.559 #kJ/mol -analytic 4.02199E+0 0E+0 -3.58374E+2 0E+0 0E+0 1.000Pb+2 + 2.000SO4-2 = Pb(SO4)2-2 log_k 3.470 #97MAR/SMI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.47E+0 0E+0 0E+0 0E+0 0E+0 1.000Pb+2 + 1.000SeO3-2 = Pb(SeO3) log_k 5.730 #01SEB/POT2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.73E+0 0E+0 0E+0 0E+0 0E+0 2.000Pb+2 - 1.000H+ + 1.000H2O = Pb2(OH)+3 log_k -7.180 #99LOT/OCH # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -7.18E+0 0E+0 0E+0 0E+0 0E+0 4.000Pb+2 - 4.000H+ + 4.000H2O = Pb4(OH)4+4 log_k -20.630 #99LOT/OCH delta_h 82.038 #kJ/mol # Enthalpy of formation: -1057.602 #kJ/mol -analytic -6.25758E+0 0E+0 -4.28514E+3 0E+0 0E+0 6.000Pb+2 - 8.000H+ + 8.000H2O = Pb6(OH)8+4 log_k -42.680 #99LOT/OCH delta_h 192.157 #kJ/mol # Enthalpy of formation: -2088.963 #kJ/mol -analytic -9.01559E+0 0E+0 -1.0037E+4 0E+0 0E+0 1.000Pb+2 + 1.000Br- = PbBr+ log_k 1.700 #82H¿G delta_h 4.228 #kJ/mol # Enthalpy of formation: -116.262 #kJ/mol -analytic 2.44071E+0 0E+0 -2.20843E+2 0E+0 0E+0 1.000Pb+2 + 2.000Br- = PbBr2 log_k 1.900 #82H¿G delta_h 10.991 #kJ/mol # Enthalpy of formation: -230.909 #kJ/mol -analytic 3.82554E+0 0E+0 -5.74099E+2 0E+0 0E+0 1.000Pb+2 + 3.000Br- = PbBr3- log_k 2.900 #82H¿G delta_h 10.653 #kJ/mol # Enthalpy of formation: -352.657 #kJ/mol -analytic 4.76632E+0 0E+0 -5.56444E+2 0E+0 0E+0 1.000Pb+2 + 1.000Cl- = PbCl+ log_k 1.440 #97SVE/SHO delta_h 4.318 #kJ/mol # Enthalpy of formation: -161.842 #kJ/mol -analytic 2.19648E+0 0E+0 -2.25545E+2 0E+0 0E+0 1.000Pb+2 + 2.000Cl- = PbCl2 log_k 2.000 #97SVE/SHO delta_h 7.949 #kJ/mol # Enthalpy of formation: -325.291 #kJ/mol -analytic 3.3926E+0 0E+0 -4.15205E+2 0E+0 0E+0 1.000Pb+2 + 3.000Cl- = PbCl3- log_k 1.690 #97SVE/SHO delta_h 7.813 #kJ/mol # Enthalpy of formation: -492.507 #kJ/mol -analytic 3.05878E+0 0E+0 -4.08101E+2 0E+0 0E+0 1.000Pb+2 + 4.000Cl- = PbCl4-2 log_k 1.400 #97SVE/SHO delta_h 1.323 #kJ/mol # Enthalpy of formation: -666.077 #kJ/mol -analytic 1.63178E+0 0E+0 -6.9105E+1 0E+0 0E+0 1.000Pb+2 + 1.000F- = PbF+ log_k 2.270 #99LOT/OCH delta_h -4.054 #kJ/mol # Enthalpy of formation: -338.484 #kJ/mol -analytic 1.55977E+0 0E+0 2.11755E+2 0E+0 0E+0 1.000Pb+2 + 2.000F- = PbF2 log_k 3.010 #99LOT/OCH delta_h -8.881 #kJ/mol # Enthalpy of formation: -678.661 #kJ/mol -analytic 1.45412E+0 0E+0 4.63886E+2 0E+0 0E+0 1.000Pb+2 - 1.000H+ + 1.000H2(PO4)- = PbHPO4 log_k -4.110 #74NRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.11E+0 0E+0 0E+0 0E+0 0E+0 1.000Pb+2 + 1.000I- = PbI+ log_k 1.980 #82H¿G delta_h 3.874 #kJ/mol # Enthalpy of formation: -51.986 #kJ/mol -analytic 2.65869E+0 0E+0 -2.02353E+2 0E+0 0E+0 1.000Pb+2 + 2.000I- = PbI2 log_k 3.150 #82H¿G delta_h 7.106 #kJ/mol # Enthalpy of formation: -105.534 #kJ/mol -analytic 4.39492E+0 0E+0 -3.71172E+2 0E+0 0E+0 1.000Pb+2 + 3.000I- = PbI3- log_k 3.810 #82H¿G delta_h 3.163 #kJ/mol # Enthalpy of formation: -166.257 #kJ/mol -analytic 4.36413E+0 0E+0 -1.65215E+2 0E+0 0E+0 1.000Pb+2 + 4.000I- = PbI4-2 log_k 3.750 #82H¿G delta_h -15.561 #kJ/mol # Enthalpy of formation: -241.761 #kJ/mol -analytic 1.02383E+0 0E+0 8.12806E+2 0E+0 0E+0 1.000Pb+2 + 1.000Pyrophos-4 = PbPyrophos-2 log_k 8.330 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.33E+0 0E+0 0E+0 0E+0 0E+0 1.000Pd+2 + 1.000CO3-2 = Pd(CO3) log_k 6.830 #87BRO/WAN delta_h -8.829 #kJ/mol # Enthalpy of formation: -494.175 #kJ/mol -analytic 5.28323E+0 0E+0 4.6117E+2 0E+0 0E+0 1.000Pd+2 + 2.000CO3-2 = Pd(CO3)2-2 log_k 12.530 #87BRO/WAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.253E+1 0E+0 0E+0 0E+0 0E+0 1.000Pd+2 + 1.000NH3 = Pd(NH3)+2 log_k 9.600 #68RAS/JOR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.6E+0 0E+0 0E+0 0E+0 0E+0 1.000Pd+2 + 2.000NH3 = Pd(NH3)2+2 log_k 18.500 #68RAS/JOR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.85E+1 0E+0 0E+0 0E+0 0E+0 1.000Pd+2 + 3.000NH3 = Pd(NH3)3+2 log_k 26.000 #68RAS/JOR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.6E+1 0E+0 0E+0 0E+0 0E+0 1.000Pd+2 + 4.000NH3 = Pd(NH3)4+2 log_k 32.800 #68RAS/JOR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.28E+1 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 1.000Pd+2 + 1.000H2O = Pd(OH)+ log_k -1.860 #70NAB/KAL delta_h 11.900 #kJ/mol # Enthalpy of formation: -84.047 #kJ/mol -analytic 2.24787E-1 0E+0 -6.21579E+2 0E+0 0E+0 - 2.000H+ + 1.000Pd+2 + 2.000H2O = Pd(OH)2 log_k -3.790 #70NAB/KAL delta_h 15.293 #kJ/mol # Enthalpy of formation: -366.483 #kJ/mol -analytic -1.11079E+0 0E+0 -7.98808E+2 0E+0 0E+0 - 3.000H+ + 1.000Pd+2 + 3.000H2O = Pd(OH)3- log_k -15.930 #70NAB/KAL delta_h 54.863 #kJ/mol # Enthalpy of formation: -612.744 #kJ/mol -analytic -6.31843E+0 0E+0 -2.86569E+3 0E+0 0E+0 - 4.000H+ + 1.000Pd+2 + 4.000H2O = Pd(OH)4-2 log_k -29.360 #70NAB/KAL delta_h 118.563 #kJ/mol # Enthalpy of formation: -834.874 #kJ/mol -analytic -8.58868E+0 0E+0 -6.19297E+3 0E+0 0E+0 1.000Pd+2 + 1.000SO4-2 = Pd(SO4) log_k 2.910 #87BRO/WAN delta_h 4.596 #kJ/mol # Enthalpy of formation: -714.86 #kJ/mol -analytic 3.71518E+0 0E+0 -2.40065E+2 0E+0 0E+0 1.000Pd+2 + 2.000SO4-2 = Pd(SO4)2-2 log_k 4.170 #82HOG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.17E+0 0E+0 0E+0 0E+0 0E+0 1.000Pd+2 + 1.000Br- = PdBr+ log_k 5.770 #72ELD delta_h -30.140 #kJ/mol # Enthalpy of formation: 38.344 #kJ/mol -analytic 4.89706E-1 0E+0 1.57432E+3 0E+0 0E+0 1.000Pd+2 + 2.000Br- = PdBr2 log_k 10.060 #72ELD delta_h -57.708 #kJ/mol # Enthalpy of formation: -110.645 #kJ/mol -analytic -4.99928E-2 0E+0 3.01429E+3 0E+0 0E+0 1.000Pd+2 + 3.000Br- = PdBr3- log_k 13.750 #72ELD delta_h -92.385 #kJ/mol # Enthalpy of formation: -266.731 #kJ/mol -analytic -2.43513E+0 0E+0 4.8256E+3 0E+0 0E+0 1.000Pd+2 + 4.000Br- = PdBr4-2 log_k 15.110 #72ELD delta_h -126.683 #kJ/mol # Enthalpy of formation: -422.439 #kJ/mol -analytic -7.08388E+0 0E+0 6.6171E+3 0E+0 0E+0 1.000Pd+2 + 1.000Cl- = PdCl+ log_k 5.100 #99LOT/OCH delta_h -24.542 #kJ/mol # Enthalpy of formation: -1.739 #kJ/mol -analytic 8.00432E-1 0E+0 1.28192E+3 0E+0 0E+0 1.000Pd+2 + 2.000Cl- = PdCl2 log_k 8.300 #99LOT/OCH delta_h -47.297 #kJ/mol # Enthalpy of formation: -191.573 #kJ/mol -analytic 1.39334E-2 0E+0 2.47049E+3 0E+0 0E+0 - 1.000H+ + 1.000Pd+2 + 3.000Cl- + 1.000H2O = PdCl3(OH)-2 log_k 2.310 #00BYR/YAO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.31E+0 0E+0 0E+0 0E+0 0E+0 1.000Pd+2 + 3.000Cl- = PdCl3- log_k 10.900 #99LOT/OCH delta_h -77.344 #kJ/mol # Enthalpy of formation: -388.7 #kJ/mol -analytic -2.65007E+0 0E+0 4.03995E+3 0E+0 0E+0 1.000Pd+2 + 4.000Cl- = PdCl4-2 log_k 11.700 #99LOT/OCH delta_h -112.469 #kJ/mol # Enthalpy of formation: -590.906 #kJ/mol -analytic -8.00369E+0 0E+0 5.87466E+3 0E+0 0E+0 1.000Pd+2 + 1.000I- = PdI+ log_k 10.400 #89BAE/McK delta_h -58.201 #kJ/mol # Enthalpy of formation: 74.902 #kJ/mol -analytic 2.03637E-1 0E+0 3.04005E+3 0E+0 0E+0 1.000Pd+2 + 2.000I- = PdI2 log_k 14.500 #97BOU delta_h -83.420 #kJ/mol # Enthalpy of formation: -7.096 #kJ/mol -analytic -1.14535E-1 0E+0 4.35732E+3 0E+0 0E+0 1.000Pd+2 + 3.000I- = PdI3- log_k 18.600 #97BOU delta_h -121.750 #kJ/mol # Enthalpy of formation: -102.207 #kJ/mol -analytic -2.72965E+0 0E+0 6.35944E+3 0E+0 0E+0 1.000Pd+2 + 4.000I- = PdI4-2 log_k 24.640 delta_h -190.052 #kJ/mol # Enthalpy of formation: -227.288 #kJ/mol -analytic -8.65563E+0 0E+0 9.92709E+3 0E+0 0E+0 1.000Pu+3 + 1.000Acetate- = Pu(Acetate)+2 log_k 2.850 #69MOS # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.85E+0 0E+0 0E+0 0E+0 0E+0 1.000Pu+4 + 1.000Acetate- = Pu(Acetate)+3 log_k 5.930 #62SCH/NEB # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0 1.000Pu+3 + 2.000Acetate- = Pu(Acetate)2+ log_k 5.060 #69MOS # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.06E+0 0E+0 0E+0 0E+0 0E+0 1.000Pu+4 + 2.000Acetate- = Pu(Acetate)2+2 log_k 10.090 #62SCH/NEB # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.009E+1 0E+0 0E+0 0E+0 0E+0 1.000Pu+3 + 3.000Acetate- = Pu(Acetate)3 log_k 6.570 #69MOS # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.57E+0 0E+0 0E+0 0E+0 0E+0 1.000Pu+3 + 1.000CO3-2 = Pu(CO3)+ log_k 7.640 #Estimated by correlation with An(III) in function of ionic radii delta_h 152.754 #kJ/mol # Enthalpy of formation: -1114.266 #kJ/mol -analytic 3.44013E+1 0E+0 -7.97889E+3 0E+0 0E+0 1.000Pu+4 - 2.000H+ + 2.000CO3-2 + 2.000H2O = Pu(CO3)2(OH)2-2 log_k 16.760 #99RAI/HES1 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.676E+1 0E+0 0E+0 0E+0 0E+0 1.000Pu+3 + 2.000CO3-2 = Pu(CO3)2- log_k 12.540 #Estimated by correlation with An(III) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.254E+1 0E+0 0E+0 0E+0 0E+0 1.000Pu+3 + 3.000CO3-2 = Pu(CO3)3-3 log_k 16.400 #Estimated by correlation with An(III) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.64E+1 0E+0 0E+0 0E+0 0E+0 1.000Pu+4 + 4.000CO3-2 = Pu(CO3)4-4 log_k 37.000 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.7E+1 0E+0 0E+0 0E+0 0E+0 1.000Pu+4 + 5.000CO3-2 = Pu(CO3)5-6 log_k 35.650 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.565E+1 0E+0 0E+0 0E+0 0E+0 1.000Pu+4 + 1.000Edta-4 = Pu(Edta) log_k 31.800 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.18E+1 0E+0 0E+0 0E+0 0E+0 1.000Pu+3 + 1.000Edta-4 = Pu(Edta)- log_k 20.180 #05HUM/AND delta_h -8.700 #kJ/mol # Enthalpy of formation: -2305.29 #kJ/mol -analytic 1.86558E+1 0E+0 4.54432E+2 0E+0 0E+0 1.000Pu+3 + 1.000H2(PO4)- = Pu(H2PO4)+2 log_k 2.200 #10RAI/MOO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0 1.000Pu+3 + 1.000H+ + 1.000Edta-4 = Pu(HEdta) log_k 22.020 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.202E+1 0E+0 0E+0 0E+0 0E+0 1.000Pu+3 - 1.000H+ + 1.000H2(PO4)- = Pu(HPO4)+ log_k -1.820 #Estimated by correlation with An(III) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.82E+0 0E+0 0E+0 0E+0 0E+0 1.000Pu+3 - 2.000H+ + 2.000H2(PO4)- = Pu(HPO4)2- log_k -5.460 #Estimated by correlation with An(III) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -5.46E+0 0E+0 0E+0 0E+0 0E+0 1.000Pu+3 + 1.000NO3- = Pu(NO3)+2 log_k 1.330 #95SIL/BID, LogK selected in analogy to Am (NEA recommendation 95SIL/BID) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0 1.000Pu+4 + 1.000NO3- = Pu(NO3)+3 log_k 1.950 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.95E+0 0E+0 0E+0 0E+0 0E+0 1.000Pu+3 + 1.000Nta-3 = Pu(Nta) log_k 13.100 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.31E+1 0E+0 0E+0 0E+0 0E+0 1.000Pu+4 + 1.000Nta-3 = Pu(Nta)+ log_k 21.000 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.1E+1 0E+0 0E+0 0E+0 0E+0 1.000Pu+3 - 1.000H+ + 1.000H2O = Pu(OH)+2 log_k -6.900 #01LEM/FUG delta_h 78.274 #kJ/mol # Enthalpy of formation: -799.346 #kJ/mol -analytic 6.813E+0 0E+0 -4.08853E+3 0E+0 0E+0 1.000Pu+4 - 1.000H+ + 1.000H2O = Pu(OH)+3 log_k 0.600 #99NEC, 01NEC/KIM, 03GUI/FAN delta_h 36.000 #kJ/mol #01LEM/FUG # Enthalpy of formation: -789.725 #kJ/mol -analytic 6.90692E+0 0E+0 -1.88041E+3 0E+0 0E+0 1.000Pu+3 - 2.000H+ + 2.000H2O = Pu(OH)2+ log_k -15.900 #80ALL/KIP delta_h 150.342 #kJ/mol # Enthalpy of formation: -1013.108 #kJ/mol -analytic 1.04387E+1 0E+0 -7.8529E+3 0E+0 0E+0 1.000Pu+4 - 2.000H+ + 2.000H2O = Pu(OH)2+2 log_k 0.600 #99NEC, 01NEC/KIM, 03GUI/FAN delta_h 49.569 #kJ/mol # Enthalpy of formation: -1061.986 #kJ/mol -analytic 9.2841E+0 0E+0 -2.58917E+3 0E+0 0E+0 1.000Pu+3 - 3.000H+ + 3.000H2O = Pu(OH)3 log_k -25.300 #80ALL/KIP delta_h 227.540 #kJ/mol # Enthalpy of formation: -1221.74 #kJ/mol -analytic 1.45632E+1 0E+0 -1.18852E+4 0E+0 0E+0 1.000Pu+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = Pu(OH)3(HGlu) log_k 4.750 #06GAO/MON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.75E+0 0E+0 0E+0 0E+0 0E+0 1.000Pu+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = Pu(OH)3(HIsa) log_k 4.750 #06GAO/MON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.75E+0 0E+0 0E+0 0E+0 0E+0 1.000Pu+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = Pu(OH)3(HIsa)2- log_k 6.860 #06GAO/MON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.86E+0 0E+0 0E+0 0E+0 0E+0 1.000Pu+4 - 3.000H+ + 3.000H2O = Pu(OH)3+ log_k -2.300 #99NEC, 01NEC/KIM, 03GUI/FAN delta_h 68.543 #kJ/mol # Enthalpy of formation: -1328.842 #kJ/mol -analytic 9.7082E+0 0E+0 -3.58024E+3 0E+0 0E+0 1.000Pu+4 - 4.000H+ + 4.000H2O = Pu(OH)4 log_k -8.500 #03GUI/FAN delta_h 99.049 #kJ/mol # Enthalpy of formation: -1584.166 #kJ/mol -analytic 8.85261E+0 0E+0 -5.17368E+3 0E+0 0E+0 1.000Pu+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = Pu(OH)4(HGlu)- log_k -2.700 #06GAO/MON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.7E+0 0E+0 0E+0 0E+0 0E+0 1.000Pu+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = Pu(OH)4(HIsa)- log_k -3.600 #06GAO/MON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.6E+0 0E+0 0E+0 0E+0 0E+0 1.000Pu+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = Pu(OH)4(HIsa)2-2 log_k 0.700 #06GAO/MON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 7E-1 0E+0 0E+0 0E+0 0E+0 1.000Pu+4 + 1.000Ox-2 = Pu(Ox)+2 log_k 11.400 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.14E+1 0E+0 0E+0 0E+0 0E+0 1.000Pu+4 + 2.000Ox-2 = Pu(Ox)2 log_k 20.600 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0 1.000Pu+3 + 2.000Ox-2 = Pu(Ox)2- log_k 10.620 #12GRI/GAR2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.062E+1 0E+0 0E+0 0E+0 0E+0 1.000Pu+4 + 3.000Ox-2 = Pu(Ox)3-2 log_k 25.690 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.569E+1 0E+0 0E+0 0E+0 0E+0 1.000Pu+3 + 3.000Ox-2 = Pu(Ox)3-3 log_k 13.220 #12GRI/GAR2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.322E+1 0E+0 0E+0 0E+0 0E+0 1.000Pu+3 - 4.000H+ + 2.000H2(PO4)- = Pu(PO4)2-3 log_k -19.730 #Estimated by correlation with An(III) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.973E+1 0E+0 0E+0 0E+0 0E+0 1.000Pu+3 + 1.000SO4-2 = Pu(SO4)+ log_k 3.910 #01LEM/FUG delta_h 17.240 #kJ/mol #01LEM/FUG # Enthalpy of formation: -1483.89 #kJ/mol -analytic 6.93031E+0 0E+0 -9.00507E+2 0E+0 0E+0 1.000Pu+4 + 1.000SO4-2 = Pu(SO4)+2 log_k 6.890 #01LEM/FUG delta_h 13.753 #kJ/mol # Enthalpy of formation: -1435.482 #kJ/mol -analytic 9.29942E+0 0E+0 -7.18368E+2 0E+0 0E+0 1.000Pu+4 + 2.000SO4-2 = Pu(SO4)2 log_k 11.140 #01LEM/FUG delta_h 43.906 #kJ/mol # Enthalpy of formation: -2314.669 #kJ/mol -analytic 1.8832E+1 0E+0 -2.29337E+3 0E+0 0E+0 1.000Pu+3 + 2.000SO4-2 = Pu(SO4)2- log_k 5.700 #01LEM/FUG delta_h 11.880 #kJ/mol #01LEM/FUG # Enthalpy of formation: -2398.59 #kJ/mol -analytic 7.78128E+0 0E+0 -6.20535E+2 0E+0 0E+0 1.000Pu+4 + 1.000Br- = PuBr+3 log_k 1.600 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.6E+0 0E+0 0E+0 0E+0 0E+0 1.000Pu+4 + 1.000Cl- = PuCl+3 log_k 1.800 #01LEM/FUG delta_h 19.820 #kJ/mol # Enthalpy of formation: -687.155 #kJ/mol -analytic 5.27231E+0 0E+0 -1.03527E+3 0E+0 0E+0 1.000Pu+4 + 1.000F- = PuF+3 log_k 8.840 #01LEM/FUG delta_h 9.100 #kJ/mol #01LEM/FUG # Enthalpy of formation: -866.145 #kJ/mol -analytic 1.04342E+1 0E+0 -4.75325E+2 0E+0 0E+0 1.000Pu+4 + 2.000F- = PuF2+2 log_k 15.700 #01LEM/FUG delta_h 11.000 #kJ/mol #01LEM/FUG # Enthalpy of formation: -1199.595 #kJ/mol -analytic 1.76271E+1 0E+0 -5.74569E+2 0E+0 0E+0 1.000Pu+4 + 3.000F- = PuF3+ log_k 20.110 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.011E+1 0E+0 0E+0 0E+0 0E+0 1.000Pu+4 + 1.000H+ + 1.000H2(PO4)- = PuH3PO4+4 log_k 4.540 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.54E+0 0E+0 0E+0 0E+0 0E+0 1.000Pu+3 + 1.000I- = PuI+2 log_k 1.100 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.1E+0 0E+0 0E+0 0E+0 0E+0 1.000Pu+4 + 1.000I- = PuI+3 log_k 1.620 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.62E+0 0E+0 0E+0 0E+0 0E+0 1.000PuO2+2 + 1.000Acetate- = PuO2(Acetate)+ log_k 2.870 #11RIC/GRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.87E+0 0E+0 0E+0 0E+0 0E+0 1.000PuO2+2 + 2.000Acetate- = PuO2(Acetate)2 log_k 4.770 #11RIC/GRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.77E+0 0E+0 0E+0 0E+0 0E+0 1.000PuO2+2 + 3.000Acetate- = PuO2(Acetate)3- log_k 6.190 #11RIC/GRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.19E+0 0E+0 0E+0 0E+0 0E+0 1.000PuO2+2 + 1.000CO3-2 = PuO2(CO3) log_k 9.500 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.5E+0 0E+0 0E+0 0E+0 0E+0 1.000PuO2+2 + 2.000CO3-2 = PuO2(CO3)2-2 log_k 14.700 #03GUI/FAN delta_h -27.000 #kJ/mol #03GUI/FAN # Enthalpy of formation: -2199.496 #kJ/mol -analytic 9.96981E+0 0E+0 1.41031E+3 0E+0 0E+0 1.000PuO2+2 + 3.000CO3-2 = PuO2(CO3)3-4 log_k 18.000 #03GUI/FAN delta_h -38.600 #kJ/mol #03GUI/FAN # Enthalpy of formation: -2886.326 #kJ/mol -analytic 1.12376E+1 0E+0 2.01622E+3 0E+0 0E+0 1.000PuO2+ + 3.000CO3-2 = PuO2(CO3)3-5 log_k 5.030 delta_h -19.110 #kJ/mol #01LEM/FUG # Enthalpy of formation: -2954.927 #kJ/mol -analytic 1.68208E+0 0E+0 9.98183E+2 0E+0 0E+0 2.000UO2+2 + 1.000PuO2+2 + 6.000CO3-2 = PuO2(CO3)6(UO2)2-6 log_k 53.480 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.348E+1 0E+0 0E+0 0E+0 0E+0 1.000PuO2+ - 1.000H+ + 1.000H2(PO4)- = PuO2(HPO4)- log_k -4.860 #NEA Guidelines in 01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.86E+0 0E+0 0E+0 0E+0 0E+0 1.000PuO2+2 + 1.000Nta-3 = PuO2(Nta)- log_k 11.000 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0 1.000PuO2+ + 1.000Nta-3 = PuO2(Nta)-2 log_k 7.500 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0 1.000PuO2+2 - 1.000H+ + 1.000H2O = PuO2(OH)+ log_k -5.500 #01LEM/FUG delta_h 28.000 #kJ/mol #01LEM/FUG # Enthalpy of formation: -1079.866 #kJ/mol -analytic -5.94618E-1 0E+0 -1.46254E+3 0E+0 0E+0 1.000PuO2+2 - 2.000H+ + 2.000H2O = PuO2(OH)2 log_k -13.200 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.32E+1 0E+0 0E+0 0E+0 0E+0 1.000PuO2+2 - 1.000H+ + 1.000H4(SiO4) = PuO2(OSi(OH)3)+ log_k -3.640 #03YUS/FED # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.64E+0 0E+0 0E+0 0E+0 0E+0 1.000PuO2+2 + 1.000Ox-2 = PuO2(Ox) log_k 7.000 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 7E+0 0E+0 0E+0 0E+0 0E+0 1.000PuO2+2 + 2.000Ox-2 = PuO2(Ox)2-2 log_k 10.500 #73POR/DEP in 95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.05E+1 0E+0 0E+0 0E+0 0E+0 1.000PuO2+2 + 1.000Phthalat-2 = PuO2(Phthalat) log_k 5.760 #11GRI/COL3 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.76E+0 0E+0 0E+0 0E+0 0E+0 1.000PuO2+2 + 1.000SO4-2 = PuO2(SO4) log_k 3.380 #01LEM/FUG delta_h 16.100 #kJ/mol #01LEM/FUG # Enthalpy of formation: -1715.276 #kJ/mol -analytic 6.20059E+0 0E+0 -8.4096E+2 0E+0 0E+0 1.000PuO2+ + 1.000SO4-2 = PuO2(SO4)- log_k 0.440 #Duro et al. (2006), In analogy to NpO2(SO4)- # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.4E-1 0E+0 0E+0 0E+0 0E+0 1.000PuO2+2 + 2.000SO4-2 = PuO2(SO4)2-2 log_k 4.400 #01LEM/FUG delta_h 43.000 #kJ/mol #01LEM/FUG # Enthalpy of formation: -2597.716 #kJ/mol -analytic 1.19333E+1 0E+0 -2.24604E+3 0E+0 0E+0 1.000PuO2+ + 1.000CO3-2 = PuO2CO3- log_k 5.120 #01LEM/FUG delta_h 44.874 #kJ/mol # Enthalpy of formation: -1540.483 #kJ/mol -analytic 1.29816E+1 0E+0 -2.34393E+3 0E+0 0E+0 1.000PuO2+2 + 1.000Cl- = PuO2Cl+ log_k 0.230 #03GUI/FAN delta_h 4.187 #kJ/mol # Enthalpy of formation: -984.929 #kJ/mol -analytic 9.6353E-1 0E+0 -2.18702E+2 0E+0 0E+0 1.000PuO2+2 + 2.000Cl- = PuO2Cl2 log_k -1.150 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.15E+0 0E+0 0E+0 0E+0 0E+0 1.000PuO2+ + 1.000F- = PuO2F log_k 1.200 #In analogy to NpO2)F # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.2E+0 0E+0 0E+0 0E+0 0E+0 1.000PuO2+2 + 1.000F- = PuO2F+ log_k 4.560 #01LEM/FUG delta_h -3.653 #kJ/mol # Enthalpy of formation: -1161.039 #kJ/mol -analytic 3.92002E+0 0E+0 1.90809E+2 0E+0 0E+0 1.000PuO2+2 + 2.000F- = PuO2F2 log_k 7.250 #01LEM/FUG delta_h 1.208 #kJ/mol # Enthalpy of formation: -1491.528 #kJ/mol -analytic 7.46163E+0 0E+0 -6.30981E+1 0E+0 0E+0 1.000PuO2+2 + 3.000F- = PuO2F3- log_k 9.590 #85SAW/CHA delta_h 2.401 #kJ/mol # Enthalpy of formation: -1825.685 #kJ/mol -analytic 1.00106E+1 0E+0 -1.25413E+2 0E+0 0E+0 1.000PuO2+2 + 1.000NO3- = PuO2NO3+ log_k 0.100 #12GRI/GAR1 (LogK selected in analogy to U (NEA recommendation), logK(UO2NO3 +)) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1E-1 0E+0 0E+0 0E+0 0E+0 1.000PuO2+ - 1.000H+ + 1.000H2O = PuO2OH log_k -11.300 #01LEM/FUG delta_h 71.826 #kJ/mol # Enthalpy of formation: -1124.131 #kJ/mol -analytic 1.28336E+0 0E+0 -3.75173E+3 0E+0 0E+0 1.000Pu+3 + 1.000Ox-2 = PuOx+ log_k 6.490 #12GRI/GAR2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.49E+0 0E+0 0E+0 0E+0 0E+0 1.000Pu+3 - 2.000H+ + 1.000H2(PO4)- = PuPO4 log_k -7.920 #Estimated by correlation with An(III) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -7.92E+0 0E+0 0E+0 0E+0 0E+0 1.000Ra+2 + 1.000CO3-2 = Ra(CO3) log_k 2.500 #99SCH delta_h 4.496 #kJ/mol # Enthalpy of formation: -1198.76 #kJ/mol -analytic 3.28766E+0 0E+0 -2.34842E+2 0E+0 0E+0 1.000H+ + 1.000Ra+2 + 1.000CO3-2 = Ra(HCO3)+ log_k 10.920 #02ILE/TWE # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.092E+1 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 1.000Ra+2 + 1.000H2O = Ra(OH)+ log_k -13.490 delta_h 60.417 #kJ/mol #85LAN/RIE # Enthalpy of formation: -753.438 #kJ/mol -analytic -2.90541E+0 0E+0 -3.1558E+3 0E+0 0E+0 - 2.000H+ + 1.000Ra+2 + 2.000H2O = Ra(OH)2 log_k -28.070 delta_h 112.197 #kJ/mol # Enthalpy of formation: -987.488 #kJ/mol -analytic -8.41396E+0 0E+0 -5.86045E+3 0E+0 0E+0 1.000Ra+2 + 1.000SO4-2 = Ra(SO4) log_k 2.760 delta_h 5.481 #kJ/mol # Enthalpy of formation: -1431.884 #kJ/mol -analytic 3.72023E+0 0E+0 -2.86292E+2 0E+0 0E+0 1.000Ra+2 + 1.000Cl- = RaCl+ log_k -0.100 #85LAN/RIE delta_h 2.479 #kJ/mol # Enthalpy of formation: -692.626 #kJ/mol -analytic 3.34302E-1 0E+0 -1.29487E+2 0E+0 0E+0 1.000Ra+2 + 2.000Cl- = RaCl2 log_k -0.100 delta_h 0.496 #kJ/mol # Enthalpy of formation: -861.689 #kJ/mol -analytic -1.31047E-2 0E+0 -2.59078E+1 0E+0 0E+0 1.000Ra+2 + 1.000F- = RaF+ log_k 0.480 #87BRO/WAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.8E-1 0E+0 0E+0 0E+0 0E+0 1.000Br- + 1.000Rb+ = RbBr log_k -1.240 delta_h 13.836 #kJ/mol # Enthalpy of formation: -358.694 #kJ/mol #97SVE/SHO -analytic 1.18396E+0 0E+0 -7.22704E+2 0E+0 0E+0 1.000Cl- + 1.000Rb+ = RbCl log_k -1.010 delta_h 13.189 #kJ/mol # Enthalpy of formation: -405.011 #kJ/mol #97SVE/SHO -analytic 1.30061E+0 0E+0 -6.88908E+2 0E+0 0E+0 1.000F- + 1.000Rb+ = RbF log_k 0.940 delta_h 1.923 #kJ/mol # Enthalpy of formation: -584.547 #kJ/mol #97SVE/SHO -analytic 1.27689E+0 0E+0 -1.00445E+2 0E+0 0E+0 1.000I- + 1.000Rb+ = RbI log_k -0.840 delta_h 6.987 #kJ/mol # Enthalpy of formation: -300.913 #kJ/mol #97SVE/SHO -analytic 3.84068E-1 0E+0 -3.64956E+2 0E+0 0E+0 - 1.000H+ + 1.000Rb+ + 1.000H2O = RbOH log_k -14.260 delta_h 64.158 #kJ/mol # Enthalpy of formation: -472.792 #kJ/mol #97SHO/SAS2 -analytic -3.02002E+0 0E+0 -3.3512E+3 0E+0 0E+0 - 1.000H+ + 1.000HS- = S-2 log_k -17.100 #04CHI delta_h 73.278 #kJ/mol # Enthalpy of formation: 56.978 #kJ/mol -analytic -4.26226E+0 0E+0 -3.82757E+3 0E+0 0E+0 2.000HS- - 1.000H2O + 0.500O2 = S2-2 log_k 32.450 delta_h -212.123 #kJ/mol # Enthalpy of formation: 35.04 #kJ/mol #04CHI -analytic -4.7123E+0 0E+0 1.10799E+4 0E+0 0E+0 2.000H+ + 2.000SO3-2 - 1.000H2O = S2O5-2 log_k 12.850 #85GOL/PAR delta_h 2.606 #kJ/mol # Enthalpy of formation: -973.684 #kJ/mol -analytic 1.33066E+1 0E+0 -1.36121E+2 0E+0 0E+0 2.000SO4-2 - 1.000H2O + 2.000H+ + 0.500O2 = S2O8-2 log_k -22.390 delta_h 194.217 #kJ/mol # Enthalpy of formation: -1344.7 #kJ/mol #82WAG/EVA -analytic 1.16353E+1 0E+0 -1.01446E+4 0E+0 0E+0 1.000H+ + 3.000HS- - 2.000H2O + 1.000O2 = S3-2 log_k 79.470 delta_h -484.686 #kJ/mol # Enthalpy of formation: 25.94 #kJ/mol #74NAU/RYZ -analytic -5.44322E+0 0E+0 2.53169E+4 0E+0 0E+0 4.000H+ + 3.000SO3-2 - 2.000H2O - 0.500O2 = S3O6-2 log_k -6.170 delta_h 148.117 #kJ/mol # Enthalpy of formation: -1167.336 #kJ/mol #04CHI -analytic 1.97789E+1 0E+0 -7.73668E+3 0E+0 0E+0 2.000H+ + 4.000HS- - 3.000H2O + 1.500O2 = S4-2 log_k 125.390 delta_h -751.079 #kJ/mol # Enthalpy of formation: 23.01 #kJ/mol #74NAU/RYZ -analytic -6.1932E+0 0E+0 3.92315E+4 0E+0 0E+0 6.000H+ + 4.000SO3-2 - 3.000H2O - 1.500O2 = S4O6-2 log_k -38.170 delta_h 424.311 #kJ/mol # Enthalpy of formation: -1224.238 #kJ/mol #04CHI -analytic 3.6166E+1 0E+0 -2.21633E+4 0E+0 0E+0 3.000H+ + 5.000HS- - 4.000H2O + 2.000O2 = S5-2 log_k 171.090 delta_h -1016.212 #kJ/mol # Enthalpy of formation: 21.34 #kJ/mol #74NAU/RYZ -analytic -6.94244E+0 0E+0 5.30804E+4 0E+0 0E+0 8.000H+ + 5.000SO3-2 - 4.000H2O - 2.500O2 = S5O6-2 log_k -99.570 delta_h 805.941 #kJ/mol # Enthalpy of formation: -1175.704 #kJ/mol #04CHI -analytic 4.16246E+1 0E+0 -4.20972E+4 0E+0 0E+0 2.000H+ + 1.000SO3-2 - 1.000H2O = SO2 log_k 9.030 delta_h 21.450 #kJ/mol # Enthalpy of formation: -323.78 #kJ/mol #85GOL/PAR -analytic 1.27879E+1 0E+0 -1.12041E+3 0E+0 0E+0 2.000H+ + 1.000Sb(OH)3 - 2.000H2O = Sb(OH)+2 log_k 0.740 #99LOT/OCH # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 7.4E-1 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000Sb(OH)3 - 1.000H2O = Sb(OH)2+ log_k 1.330 #77ANT/NEV and others recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000Sb(OH)5 - 1.000H2O = Sb(OH)4+ log_k -3.260 #57PIT/POU in 99LOT/OCH # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.26E+0 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 1.000Sb(OH)3 + 1.000H2O = Sb(OH)4- log_k -11.820 #52GAY/GAR recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.182E+1 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 1.000Sb(OH)5 + 1.000H2O = Sb(OH)6- log_k -2.720 #63LEF/MAR in 76BAE/MES # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.72E+0 0E+0 0E+0 0E+0 0E+0 3.000H+ + 1.000Sb(OH)3 - 3.000H2O = Sb+3 log_k -0.730 #99LOT/OCH # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -7.3E-1 0E+0 0E+0 0E+0 0E+0 - 4.000H+ + 12.000Sb(OH)5 + 4.000H2O = Sb12(OH)64-4 log_k 20.340 #63LEF/MAR in 76BAE/MES # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.034E+1 0E+0 0E+0 0E+0 0E+0 - 5.000H+ + 12.000Sb(OH)5 + 5.000H2O = Sb12(OH)65-5 log_k 16.720 #63LEF/MAR in 76BAE/MES # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.672E+1 0E+0 0E+0 0E+0 0E+0 - 6.000H+ + 12.000Sb(OH)5 + 6.000H2O = Sb12(OH)66-6 log_k 11.890 #63LEF/MAR in 76BAE/MES # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.189E+1 0E+0 0E+0 0E+0 0E+0 - 7.000H+ + 12.000Sb(OH)5 + 7.000H2O = Sb12(OH)67-7 log_k 6.070 #63LEF/MAR in 76BAE/MES # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.07E+0 0E+0 0E+0 0E+0 0E+0 4.000H+ + 4.000HS- + 2.000Sb(OH)3 - 6.000H2O = Sb2H2S4 log_k 57.810 #88KRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.781E+1 0E+0 0E+0 0E+0 0E+0 3.000H+ + 4.000HS- + 2.000Sb(OH)3 - 6.000H2O = Sb2HS4- log_k 52.900 #88KRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.29E+1 0E+0 0E+0 0E+0 0E+0 2.000H+ + 4.000HS- + 2.000Sb(OH)3 - 6.000H2O = Sb2S4-2 log_k 43.380 #88KRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.338E+1 0E+0 0E+0 0E+0 0E+0 3.000H+ + 1.000Cl- + 1.000Sb(OH)3 - 3.000H2O = SbCl+2 log_k 2.800 #70BON/WAU and others recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0 3.000H+ + 2.000Cl- + 1.000Sb(OH)3 - 3.000H2O = SbCl2+ log_k 3.270 #70BON/WAU and others recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0 3.000H+ + 1.000F- + 1.000Sb(OH)3 - 3.000H2O = SbF+2 log_k 6.370 #70BON recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.37E+0 0E+0 0E+0 0E+0 0E+0 3.000H+ + 2.000F- + 1.000Sb(OH)3 - 3.000H2O = SbF2+ log_k 12.420 #70BON recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.242E+1 0E+0 0E+0 0E+0 0E+0 3.000H+ + 3.000F- + 1.000Sb(OH)3 - 3.000H2O = SbF3 log_k 18.200 #70BON recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.82E+1 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 1.000HSe- = Se-2 log_k -14.910 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.491E+1 0E+0 0E+0 0E+0 0E+0 2.000HSe- - 1.000H2O + 0.500O2 = Se2-2 log_k 38.490 #05OLI/NOL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.849E+1 0E+0 0E+0 0E+0 0E+0 1.000H+ + 3.000HSe- - 2.000H2O + 1.000O2 = Se3-2 log_k 91.220 #05OLI/NOL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.122E+1 0E+0 0E+0 0E+0 0E+0 2.000H+ + 4.000HSe- - 3.000H2O + 1.500O2 = Se4-2 log_k 142.350 #05OLI/NOL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.4235E+2 0E+0 0E+0 0E+0 0E+0 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = SeCn- log_k 56.020 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.602E+1 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 2.000H4(SiO4) - 1.000H2O = Si2O2(OH)5- log_k -8.500 #01FEL/CHO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -8.5E+0 0E+0 0E+0 0E+0 0E+0 - 2.000H+ + 2.000H4(SiO4) - 1.000H2O = Si2O3(OH)4-2 log_k -19.400 #01FEL/CHO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.94E+1 0E+0 0E+0 0E+0 0E+0 - 3.000H+ + 3.000H4(SiO4) - 2.000H2O = Si3O5(OH)5-3 log_k -29.400 #01FEL/CHO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.94E+1 0E+0 0E+0 0E+0 0E+0 - 3.000H+ + 3.000H4(SiO4) - 3.000H2O = Si3O6(OH)3-3 log_k -29.300 #01FEL/CHO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.93E+1 0E+0 0E+0 0E+0 0E+0 - 2.000H+ + 4.000H4(SiO4) - 4.000H2O = Si4O6(OH)6-2 log_k -15.600 #01FEL/CHO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.56E+1 0E+0 0E+0 0E+0 0E+0 - 4.000H+ + 4.000H4(SiO4) - 3.000H2O = Si4O7(OH)6-4 log_k -39.100 #01FEL/CHO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.91E+1 0E+0 0E+0 0E+0 0E+0 - 4.000H+ + 4.000H4(SiO4) - 4.000H2O = Si4O8(OH)4-4 log_k -39.200 #01FEL/CHO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.92E+1 0E+0 0E+0 0E+0 0E+0 - 6.000H+ + 6.000H4(SiO4) - 9.000H2O = Si6O15-6 log_k -61.800 #01FEL/CHO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6.18E+1 0E+0 0E+0 0E+0 0E+0 1.000Sm+3 + 1.000CO3-2 = Sm(CO3)+ log_k 7.800 #95SPA/BRU delta_h 163.392 #kJ/mol # Enthalpy of formation: -1203.037 #kJ/mol -analytic 3.6425E+1 0E+0 -8.53455E+3 0E+0 0E+0 1.000Sm+3 + 2.000CO3-2 = Sm(CO3)2- log_k 12.800 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.28E+1 0E+0 0E+0 0E+0 0E+0 1.000Sm+3 + 3.000CO3-2 = Sm(CO3)3-3 log_k 14.800 #05VER/VIT2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0 1.000Sm+3 + 1.000H2(PO4)- = Sm(H2PO4)+2 log_k 2.350 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.35E+0 0E+0 0E+0 0E+0 0E+0 1.000Sm+3 + 1.000H+ + 1.000CO3-2 = Sm(HCO3)+2 log_k 12.430 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.243E+1 0E+0 0E+0 0E+0 0E+0 1.000Sm+3 - 1.000H+ + 1.000H2(PO4)- = Sm(HPO4)+ log_k -1.610 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.61E+0 0E+0 0E+0 0E+0 0E+0 1.000Sm+3 - 2.000H+ + 2.000H2(PO4)- = Sm(HPO4)2- log_k -5.020 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -5.02E+0 0E+0 0E+0 0E+0 0E+0 1.000Sm+3 + 1.000NO3- = Sm(NO3)+2 log_k 0.900 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9E-1 0E+0 0E+0 0E+0 0E+0 1.000Sm+3 - 1.000H+ + 1.000H2O = Sm(OH)+2 log_k -7.900 #95SPA/BRU delta_h 81.304 #kJ/mol # Enthalpy of formation: -895.725 #kJ/mol -analytic 6.34383E+0 0E+0 -4.2468E+3 0E+0 0E+0 1.000Sm+3 - 2.000H+ + 2.000H2O = Sm(OH)2+ log_k -15.700 #07NEC/ALT2 delta_h 145.698 #kJ/mol # Enthalpy of formation: -1117.161 #kJ/mol -analytic 9.82516E+0 0E+0 -7.61033E+3 0E+0 0E+0 1.000Sm+3 - 3.000H+ + 3.000H2O = Sm(OH)3 log_k -26.200 #07NEC/ALT2 delta_h 228.395 #kJ/mol # Enthalpy of formation: -1320.294 #kJ/mol -analytic 1.3813E+1 0E+0 -1.19299E+4 0E+0 0E+0 1.000Sm+3 - 4.000H+ + 4.000H2O = Sm(OH)4- log_k -40.700 #07NEC/ALT2 delta_h 298.594 #kJ/mol # Enthalpy of formation: -1535.925 #kJ/mol -analytic 1.16113E+1 0E+0 -1.55966E+4 0E+0 0E+0 1.000Sm+3 - 2.000H+ + 1.000H2(PO4)- = Sm(PO4) log_k -7.460 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -7.46E+0 0E+0 0E+0 0E+0 0E+0 1.000Sm+3 - 4.000H+ + 2.000H2(PO4)- = Sm(PO4)2-3 log_k -18.720 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.872E+1 0E+0 0E+0 0E+0 0E+0 1.000Sm+3 + 1.000SO4-2 = Sm(SO4)+ log_k 3.500 #95SPA/BRU delta_h 16.575 #kJ/mol # Enthalpy of formation: -1583.964 #kJ/mol -analytic 6.40381E+0 0E+0 -8.65771E+2 0E+0 0E+0 1.000Sm+3 + 2.000SO4-2 = Sm(SO4)2- log_k 5.200 #95SPA/BRU delta_h 24.910 #kJ/mol # Enthalpy of formation: -2484.969 #kJ/mol -analytic 9.56404E+0 0E+0 -1.30114E+3 0E+0 0E+0 1.000Sm+3 + 1.000Br- = SmBr+2 log_k 0.230 #96FAL/REA delta_h 17.023 #kJ/mol # Enthalpy of formation: -795.586 #kJ/mol -analytic 3.2123E+0 0E+0 -8.89172E+2 0E+0 0E+0 1.000Sm+3 + 1.000Cl- = SmCl+2 log_k 0.720 #Original data 01LUO/BYR and 07LUO/BYR delta_h 22.277 #kJ/mol # Enthalpy of formation: -836.002 #kJ/mol -analytic 4.62276E+0 0E+0 -1.16361E+3 0E+0 0E+0 1.000Sm+3 + 1.000F- = SmF+2 log_k 4.210 #07LUO/BYR delta_h 24.180 #kJ/mol # Enthalpy of formation: -1002.369 #kJ/mol -analytic 8.44615E+0 0E+0 -1.26301E+3 0E+0 0E+0 1.000Sm+3 + 2.000F- = SmF2+ log_k 6.430 #Original data 99SCH/BYR and 04LUO/BYR delta_h 18.850 #kJ/mol # Enthalpy of formation: -1343.049 #kJ/mol -analytic 9.73237E+0 0E+0 -9.84603E+2 0E+0 0E+0 1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2 log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO1 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 1.000Sn+2 + 1.000Cit-3 = Sn(Cit)- log_k 8.700 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.7E+0 0E+0 0E+0 0E+0 0E+0 1.000Sn+2 + 2.000Cit-3 = Sn(Cit)2-4 log_k 11.900 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.19E+1 0E+0 0E+0 0E+0 0E+0 1.000Sn+2 + 1.000Edta-4 = Sn(Edta)-2 log_k 24.600 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0 1.000Sn+2 + 2.000H+ + 1.000Edta-4 = Sn(H2Edta) log_k 24.300 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.43E+1 0E+0 0E+0 0E+0 0E+0 1.000Sn+2 + 1.000H+ + 1.000Edta-4 = Sn(HEdta)- log_k 23.400 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.34E+1 0E+0 0E+0 0E+0 0E+0 1.000Sn+2 + 1.000Nta-3 = Sn(Nta)- log_k 13.400 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0 1.000Sn+2 - 1.000H+ + 1.000H2O = Sn(OH)+ log_k -3.530 #12GAM/GAJ delta_h 18.612 #kJ/mol # Enthalpy of formation: -276.835 #kJ/mol -analytic -2.69322E-1 0E+0 -9.72171E+2 0E+0 0E+0 1.000Sn+2 - 2.000H+ + 2.000H2O = Sn(OH)2 log_k -7.680 #12GAM/GAJ delta_h 40.762 #kJ/mol # Enthalpy of formation: -540.515 #kJ/mol -analytic -5.38815E-1 0E+0 -2.12914E+3 0E+0 0E+0 1.000Sn+2 - 3.000H+ + 3.000H2O = Sn(OH)3- log_k -61.190 #13COL/GRI delta_h 344.633 #kJ/mol # Enthalpy of formation: -522.474 #kJ/mol -analytic -8.12979E-1 0E+0 -1.80014E+4 0E+0 0E+0 1.000Sn+4 - 4.000H+ + 4.000H2O = Sn(OH)4 log_k 7.540 delta_h -49.215 #kJ/mol # Enthalpy of formation: -1224.035 #kJ/mol -analytic -1.08209E+0 0E+0 2.57067E+3 0E+0 0E+0 1.000Sn+4 - 5.000H+ + 5.000H2O = Sn(OH)5- log_k -1.060 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.06E+0 0E+0 0E+0 0E+0 0E+0 1.000Sn+4 - 6.000H+ + 6.000H2O = Sn(OH)6-2 log_k -11.130 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.113E+1 0E+0 0E+0 0E+0 0E+0 1.000Sn+2 - 1.000H+ + 1.000Cl- + 1.000H2O = Sn(OH)Cl log_k -3.100 #52VAN/RHO recalculated in 02HUM/BER # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.1E+0 0E+0 0E+0 0E+0 0E+0 1.000Sn+2 + 1.000Ox-2 = Sn(Ox) log_k 6.500 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0 1.000Sn+2 + 2.000Ox-2 = Sn(Ox)2-2 log_k 12.900 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0 1.000Sn+2 + 3.000Ox-2 = Sn(Ox)3-4 log_k 17.100 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.71E+1 0E+0 0E+0 0E+0 0E+0 1.000Sn+2 + 1.000SO4-2 = Sn(SO4) log_k 3.430 #12GAM/GAJ delta_h 16.900 #kJ/mol #Suggested but not selected in 12GAM/GAJ # Enthalpy of formation: -902.057 #kJ/mol -analytic 6.39075E+0 0E+0 -8.82747E+2 0E+0 0E+0 3.000Sn+2 - 4.000H+ + 4.000H2O = Sn3(OH)4+2 log_k -5.600 #12GAM/GAJ # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -5.6E+0 0E+0 0E+0 0E+0 0E+0 1.000Sn+2 + 1.000Br- = SnBr+ log_k 1.330 #12GAM/GAJ # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0 1.000Sn+2 + 2.000Br- = SnBr2 log_k 1.970 #12GAM/GAJ # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.97E+0 0E+0 0E+0 0E+0 0E+0 1.000Sn+2 + 3.000Br- = SnBr3- log_k 1.930 #12GAM/GAJ # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.93E+0 0E+0 0E+0 0E+0 0E+0 1.000Sn+2 + 1.000Cl- = SnCl+ log_k 1.520 #12GAM/GAJ delta_h 12.700 #kJ/mol #12GAM/GAJ # Enthalpy of formation: -163.997 #kJ/mol -analytic 3.74494E+0 0E+0 -6.63366E+2 0E+0 0E+0 1.000Sn+2 + 2.000Cl- = SnCl2 log_k 2.170 #12GAM/GAJ delta_h 19.700 #kJ/mol #12GAM/GAJ # Enthalpy of formation: -324.077 #kJ/mol -analytic 5.62129E+0 0E+0 -1.029E+3 0E+0 0E+0 1.000Sn+2 + 3.000Cl- = SnCl3- log_k 2.130 #12GAM/GAJ # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.13E+0 0E+0 0E+0 0E+0 0E+0 1.000Sn+2 + 4.000Cl- = SnCl4-2 log_k 2.030 #12GAM/GAJ # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.03E+0 0E+0 0E+0 0E+0 0E+0 1.000Sn+2 + 1.000F- = SnF+ log_k 5.250 #12GAM/GAJ delta_h -9.579 #kJ/mol # Enthalpy of formation: -354.546 #kJ/mol -analytic 3.57183E+0 0E+0 5.00345E+2 0E+0 0E+0 1.000Sn+2 + 2.000F- = SnF2 log_k 8.890 #12GAM/GAJ delta_h -9.968 #kJ/mol # Enthalpy of formation: -690.285 #kJ/mol -analytic 7.14368E+0 0E+0 5.20664E+2 0E+0 0E+0 1.000Sn+2 + 3.000F- = SnF3- log_k 11.500 #12GAM/GAJ delta_h -4.478 #kJ/mol # Enthalpy of formation: -1020.145 #kJ/mol -analytic 1.07155E+1 0E+0 2.33902E+2 0E+0 0E+0 1.000Sn+2 - 1.000H+ + 1.000H2(PO4)- = SnHPO4 log_k 2.290 #00CIA/IUL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.29E+0 0E+0 0E+0 0E+0 0E+0 1.000Sn+2 + 1.000I- = SnI+ log_k 1.740 #68HAI/JOH1 recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.74E+0 0E+0 0E+0 0E+0 0E+0 1.000Sn+2 + 2.000I- = SnI2 log_k 2.690 #68HAI/JOH1 recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.69E+0 0E+0 0E+0 0E+0 0E+0 1.000Sn+2 - 2.000H+ + 1.000H2(PO4)- = SnPO4- log_k -1.560 #00CIA/IUL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.56E+0 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 1.000CO3-2 = Sr(CO3) log_k 2.810 #84BUS/PLU delta_h 21.824 #kJ/mol # Enthalpy of formation: -1204.306 #kJ/mol -analytic 6.6334E+0 0E+0 -1.13995E+3 0E+0 0E+0 1.000Sr+2 + 1.000Cit-3 = Sr(Cit)- log_k 4.240 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.24E+0 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 - 1.000H+ + 2.000Cit-3 + 1.000H2O = Sr(Cit)2(OH)-5 log_k -1.780 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.78E+0 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 2.000Cit-3 = Sr(Cit)2-4 log_k 4.840 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.84E+0 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 1.000Cn- = Sr(Cn)+ log_k 0.710 #estimation NEA87 08/02/95 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 7.1E-1 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 2.000Cn- = Sr(Cn)2 log_k 0.200 #estimation NEA87 08/02/95 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2E-1 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 1.000Edta-4 = Sr(Edta)-2 log_k 10.300 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.03E+1 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 2.000H+ + 1.000Cit-3 = Sr(H2Cit)+ log_k 12.460 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.246E+1 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 1.000H2(PO4)- = Sr(H2PO4)+ log_k 0.830 #97MAR/SMI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.3E-1 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 1.000H+ + 1.000CO3-2 = Sr(HCO3)+ log_k 11.510 #84BUS/PLUS delta_h 10.598 #kJ/mol # Enthalpy of formation: -1215.533 #kJ/mol -analytic 1.33667E+1 0E+0 -5.53571E+2 0E+0 0E+0 1.000Sr+2 + 1.000H+ + 1.000Cit-3 = Sr(HCit) log_k 9.000 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9E+0 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 1.000H+ + 1.000Edta-4 = Sr(HEdta)- log_k 14.700 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.47E+1 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 1.000H+ + 1.000Ox-2 = Sr(HOx)+ log_k 5.800 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.8E+0 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 2.000H+ + 2.000Ox-2 = Sr(HOx)2 log_k 10.800 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.08E+1 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 - 1.000H+ + 1.000H2(PO4)- = Sr(HPO4) log_k -4.700 #97MAR/SMI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.7E+0 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 1.000IO3- = Sr(IO3)+ log_k 0.330 #estimation NEA87 01/02/95 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.3E-1 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 2.000IO3- = Sr(IO3)2 log_k -0.550 #estimation NEA87 01/02/95 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -5.5E-1 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 1.000NH3 = Sr(NH3)+2 log_k -0.550 #estimation NEA87 08/02/95 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -5.5E-1 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 1.000NO3- = Sr(NO3)+ log_k 0.600 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6E-1 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 2.000NO3- = Sr(NO3)2 log_k 0.310 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.1E-1 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 1.000Nta-3 = Sr(Nta)- log_k 6.250 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.25E+0 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 - 1.000H+ + 1.000H2O = Sr(OH)+ log_k -13.290 #76BAE/MES delta_h 82.609 #kJ/mol # Enthalpy of formation: -754.12 #kJ/mol -analytic 1.18245E+0 0E+0 -4.31496E+3 0E+0 0E+0 1.000Sr+2 + 1.000Ox-2 = Sr(Ox) log_k 2.540 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.54E+0 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 2.000Ox-2 = Sr(Ox)2-2 log_k 3.000 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3E+0 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 - 2.000H+ + 1.000H2(PO4)- = Sr(PO4)- log_k -13.560 #96BOU1 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.356E+1 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 1.000Pyrophos-4 = Sr(Pyrophos)-2 log_k 5.400 #76SMI/MAR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.4E+0 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 1.000S2O3-2 = Sr(S2O3) log_k 2.040 #76SMI/MAR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.04E+0 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 1.000SO4-2 = Sr(SO4) log_k 2.300 #06BLA/IGN delta_h 7.029 #kJ/mol #06BLA/IGN # Enthalpy of formation: -1453.211 #kJ/mol -analytic 3.53143E+0 0E+0 -3.6715E+2 0E+0 0E+0 2.000Sr+2 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Sr2(Cit)(OH) log_k 0.380 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.8E-1 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 1.000B(OH)4- = SrB(OH)4+ log_k 1.550 #80BAS # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.55E+0 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 1.000Cl- = SrCl+ log_k 0.230 #96BOU1 delta_h 4.924 #kJ/mol # Enthalpy of formation: -713.054 #kJ/mol -analytic 1.09265E+0 0E+0 -2.57198E+2 0E+0 0E+0 1.000Sr+2 + 1.000F- = SrF+ log_k 0.300 delta_h 16.740 #kJ/mol # Enthalpy of formation: -869.51 #kJ/mol -analytic 3.23272E+0 0E+0 -8.7439E+2 0E+0 0E+0 1.000Sr+2 + 2.000F- = SrF2 log_k 2.020 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.02E+0 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 1.000I- = SrI+ log_k 0.140 #estimation NEA87 01/02/95 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.4E-1 0E+0 0E+0 0E+0 0E+0 1.000Sr+2 + 2.000I- = SrI2 log_k -0.040 #estimation NEA87 01/02/95 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4E-2 0E+0 0E+0 0E+0 0E+0 1.000TcO(OH)2 + 2.000H+ + 1.000CO3-2 - 1.000H2O = Tc(OH)2CO3 log_k 19.260 #99RAR/RAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.926E+1 0E+0 0E+0 0E+0 0E+0 1.000TcO(OH)2 + 1.000H+ + 1.000CO3-2 = Tc(OH)3CO3- log_k 10.960 #99RAR/RAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.096E+1 0E+0 0E+0 0E+0 0E+0 1.000TcO(OH)2 + 1.000H+ - 1.000H2O + 1.000Acetate- = TcO(OH)(Acetate) log_k 5.550 #11RIC/GRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.55E+0 0E+0 0E+0 0E+0 0E+0 1.000TcO(OH)2 + 1.000H+ + 1.000Edta-4 - 1.000H2O = TcO(OH)(Edta)-3 log_k 19.000 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.9E+1 0E+0 0E+0 0E+0 0E+0 1.000TcO(OH)2 + 1.000H+ + 1.000Nta-3 - 1.000H2O = TcO(OH)(Nta)-2 log_k 13.300 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.33E+1 0E+0 0E+0 0E+0 0E+0 1.000TcO(OH)2 + 1.000H+ + 2.000Nta-3 - 1.000H2O = TcO(OH)(Nta)2-5 log_k 11.700 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.17E+1 0E+0 0E+0 0E+0 0E+0 1.000TcO(OH)2 + 1.000H+ - 1.000H2O = TcO(OH)+ log_k 2.790 delta_h 4.020 #kJ/mol #97NGU/LAN # Enthalpy of formation: -459.47 #kJ/mol -analytic 3.49427E+0 0E+0 -2.09979E+2 0E+0 0E+0 1.000TcO(OH)2 + 2.000H+ + 1.000Ox-2 - 2.000H2O = TcO(Ox) log_k 9.800 #06XIA/HES # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.8E+0 0E+0 0E+0 0E+0 0E+0 1.000TcO(OH)2 + 2.000H+ + 2.000Ox-2 - 2.000H2O = TcO(Ox)2-2 log_k 13.660 #06XIA/HES # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.366E+1 0E+0 0E+0 0E+0 0E+0 1.000TcO(OH)2 + 2.000H+ - 2.000H2O = TcO+2 log_k 2.580 #97NGU/LAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.58E+0 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 1.000Acetate- = Th(Acetate)+3 log_k 5.240 #11RIC/GRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.24E+0 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 2.000Acetate- = Th(Acetate)2+2 log_k 9.440 #11RIC/GRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.44E+0 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 3.000Acetate- = Th(Acetate)3+ log_k 12.560 #11RIC/GRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.256E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 4.000Acetate- = Th(Acetate)4 log_k 14.380 #11RIC/GRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.438E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 5.000Acetate- = Th(Acetate)5- log_k 15.370 #11RIC/GRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.537E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 5.000CO3-2 = Th(CO3)5-6 log_k 31.000 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.1E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 1.000Cit-3 = Th(Cit)+ log_k 16.800 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.68E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 2.000Cit-3 = Th(Cit)2-2 log_k 25.800 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.58E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 1.000Edta-4 = Th(Edta) log_k 26.950 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.695E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 1.000H2(PO4)- = Th(H2PO4)+3 log_k 5.590 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.59E+0 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 2.000H2(PO4)- = Th(H2PO4)2+2 log_k 10.480 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.048E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 1.000H+ + 2.000H2(PO4)- = Th(H3PO4)(H2PO4)+3 log_k 9.700 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.7E+0 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 1.000H+ + 1.000H2(PO4)- = Th(H3PO4)+4 log_k 4.030 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.03E+0 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 1.000H+ + 1.000Edta-4 = Th(HEdta)+ log_k 28.700 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.87E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 1.000H+ + 1.000Ox-2 = Th(HOx)+3 log_k 11.000 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 2.000H+ + 2.000Ox-2 = Th(HOx)2+2 log_k 18.130 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.813E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 4.000H+ + 4.000Ox-2 = Th(HOx)4 log_k 24.300 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.43E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 1.000Malonate-2 = Th(Malonate)+2 log_k 9.320 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.32E+0 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 2.000Malonate-2 = Th(Malonate)2 log_k 16.070 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.607E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 3.000Malonate-2 = Th(Malonate)3-2 log_k 19.630 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.963E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 1.000NO3- = Th(NO3)+3 log_k 1.300 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 2.000NO3- = Th(NO3)2+2 log_k 2.300 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 1.000Nta-3 = Th(Nta)+ log_k 17.150 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.715E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 - 1.000H+ + 4.000CO3-2 + 1.000H2O = Th(OH)(CO3)4-5 log_k 21.600 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.16E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Th(OH)(Edta)- log_k 19.500 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.95E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Th(OH)(Nta) log_k 25.200 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.52E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 - 1.000H+ + 1.000H2O = Th(OH)+3 log_k -2.500 #09RAN/FUG delta_h 44.200 #kJ/mol #09RAN/FUG # Enthalpy of formation: -1010.33 #kJ/mol -analytic 5.2435E+0 0E+0 -2.30872E+3 0E+0 0E+0 1.000Th+4 - 2.000H+ + 1.000CO3-2 + 2.000H2O = Th(OH)2(CO3) log_k 2.500 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.5E+0 0E+0 0E+0 0E+0 0E+0 1.000Th+4 - 2.000H+ + 2.000CO3-2 + 2.000H2O = Th(OH)2(CO3)2-2 log_k 8.800 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.8E+0 0E+0 0E+0 0E+0 0E+0 1.000Th+4 - 2.000H+ + 1.000Nta-3 + 2.000H2O = Th(OH)2(Nta)- log_k 35.200 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.52E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 - 2.000H+ + 2.000H2O = Th(OH)2+2 log_k -6.200 #09RAN/FUG delta_h 85.700 #kJ/mol #09RAN/FUG # Enthalpy of formation: -1254.66 #kJ/mol -analytic 8.81397E+0 0E+0 -4.47642E+3 0E+0 0E+0 1.000Th+4 - 3.000H+ + 1.000CO3-2 + 3.000H2O = Th(OH)3(CO3)- log_k -3.700 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.7E+0 0E+0 0E+0 0E+0 0E+0 1.000Th+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = Th(OH)3(HGlu) log_k -6.700 #06GAO/MON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6.7E+0 0E+0 0E+0 0E+0 0E+0 1.000Th+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = Th(OH)3(HIsa) log_k -5.650 #06GAO/MON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -5.65E+0 0E+0 0E+0 0E+0 0E+0 1.000Th+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = Th(OH)3(HIsa)2- log_k -4.900 #09RAI/YUI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.9E+0 0E+0 0E+0 0E+0 0E+0 1.000Th+4 - 3.000H+ + 3.000H2O = Th(OH)3+ log_k -11.000 #10GRI/RIB delta_h 125.623 #kJ/mol # Enthalpy of formation: -1500.554 #kJ/mol -analytic 1.10082E+1 0E+0 -6.56174E+3 0E+0 0E+0 1.000Th+4 - 4.000H+ + 4.000H2O = Th(OH)4 log_k -17.400 #09RAN/FUG delta_h 152.688 #kJ/mol # Enthalpy of formation: -1759.319 #kJ/mol -analytic 9.34975E+0 0E+0 -7.97544E+3 0E+0 0E+0 1.000Th+4 - 4.000H+ + 1.000CO3-2 + 4.000H2O = Th(OH)4(CO3)-2 log_k -15.600 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.56E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = Th(OH)4(HGlu)- log_k -11.800 #13COL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.18E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 2.000HGlu- + 4.000H2O - 4.000H+ = Th(OH)4(HGlu)2-2 log_k -9.900 #13COL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -9.9E+0 0E+0 0E+0 0E+0 0E+0 1.000Th+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = Th(OH)4(HIsa)- log_k -13.200 #13COL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.32E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = Th(OH)4(HIsa)2-2 log_k -10.400 #13COL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 1.000Ox-2 = Th(Ox)+2 log_k 9.700 #08SAS/TAK; 09KOB/SAS # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.7E+0 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 2.000Ox-2 = Th(Ox)2 log_k 16.000 #08SAS/TAK; 09KOB/SAS # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 3.000Ox-2 = Th(Ox)3-2 log_k 22.200 #08SAS/TAK; 09KOB/SAS # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.22E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 1.000SO4-2 = Th(SO4)+2 log_k 6.170 #09RAN/FUG delta_h 20.920 #kJ/mol #09RAN/FUG # Enthalpy of formation: -1657.12 #kJ/mol -analytic 9.83502E+0 0E+0 -1.09273E+3 0E+0 0E+0 1.000Th+4 + 2.000SO4-2 = Th(SO4)2 log_k 9.690 #09RAN/FUG delta_h 40.380 #kJ/mol #09RAN/FUG # Enthalpy of formation: -2547 #kJ/mol -analytic 1.67643E+1 0E+0 -2.10919E+3 0E+0 0E+0 1.000Th+4 + 3.000SO4-2 = Th(SO4)3-2 log_k 10.750 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.075E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 1.000Succinat-2 = Th(Succinat)+2 log_k 8.490 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.49E+0 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 2.000Succinat-2 = Th(Succinat)2 log_k 12.920 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.292E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 3.000Succinat-2 = Th(Succinat)3-2 log_k 16.620 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.662E+1 0E+0 0E+0 0E+0 0E+0 2.000Th+4 - 2.000H+ + 2.000H2O = Th2(OH)2+6 log_k -5.900 #09RAN/FUG delta_h 58.300 #kJ/mol #09RAN/FUG # Enthalpy of formation: -2050.76 #kJ/mol -analytic 4.31371E+0 0E+0 -3.04522E+3 0E+0 0E+0 2.000Th+4 - 3.000H+ + 3.000H2O = Th2(OH)3+5 log_k -6.800 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6.8E+0 0E+0 0E+0 0E+0 0E+0 2.000Th+4 - 1.000H+ + 1.000Ox-2 + 1.000H2O = Th2(Ox)(OH)+5 log_k 26.240 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.624E+1 0E+0 0E+0 0E+0 0E+0 4.000Th+4 - 12.000H+ + 12.000H2O = Th4(OH)12+4 log_k -26.600 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.66E+1 0E+0 0E+0 0E+0 0E+0 4.000Th+4 - 8.000H+ + 8.000H2O = Th4(OH)8+8 log_k -20.400 #09RAN/FUG delta_h 243.000 #kJ/mol #09RAN/FUG # Enthalpy of formation: -5118.44 #kJ/mol -analytic 2.21717E+1 0E+0 -1.26928E+4 0E+0 0E+0 6.000Th+4 - 14.000H+ + 14.000H2O = Th6(OH)14+10 log_k -36.800 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.68E+1 0E+0 0E+0 0E+0 0E+0 6.000Th+4 - 15.000H+ + 15.000H2O = Th6(OH)15+9 log_k -36.800 #09RAN/FUG delta_h 472.800 #kJ/mol #09RAN/FUG # Enthalpy of formation: -8426.85 #kJ/mol -analytic 4.60309E+1 0E+0 -2.4696E+4 0E+0 0E+0 1.000Th+4 + 1.000Cl- = ThCl+3 log_k 1.700 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.7E+0 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 1.000F- = ThF+3 log_k 8.870 #09RAN/FUG delta_h -0.400 #kJ/mol #09RAN/FUG # Enthalpy of formation: -1104.45 #kJ/mol -analytic 8.79992E+0 0E+0 2.08934E+1 0E+0 0E+0 1.000Th+4 + 2.000F- = ThF2+2 log_k 15.630 #09RAN/FUG delta_h -3.300 #kJ/mol #09RAN/FUG # Enthalpy of formation: -1442.7 #kJ/mol -analytic 1.50519E+1 0E+0 1.72371E+2 0E+0 0E+0 1.000Th+4 + 3.000F- = ThF3+ log_k 20.670 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.067E+1 0E+0 0E+0 0E+0 0E+0 1.000Th+4 + 4.000F- = ThF4 log_k 25.580 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.558E+1 0E+0 0E+0 0E+0 0E+0 1.000U+4 + 1.000Acetate- = U(Acetate)+3 log_k 5.640 #12GRI/GAR2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.64E+0 0E+0 0E+0 0E+0 0E+0 1.000U+4 + 2.000Acetate- = U(Acetate)2+2 log_k 9.810 #12GRI/GAR2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.81E+0 0E+0 0E+0 0E+0 0E+0 1.000U+4 + 4.000CO3-2 = U(CO3)4-4 log_k 35.120 #92GRE/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.512E+1 0E+0 0E+0 0E+0 0E+0 1.000U+4 + 5.000CO3-2 = U(CO3)5-6 log_k 34.000 #03GUI/FAN delta_h -20.000 #kJ/mol #03GUI/FAN # Enthalpy of formation: -3987.35 #kJ/mol -analytic 3.04962E+1 0E+0 1.04467E+3 0E+0 0E+0 1.000U+4 + 1.000Edta-4 = U(Edta) log_k 29.500 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.95E+1 0E+0 0E+0 0E+0 0E+0 1.000U+4 + 1.000NO3- = U(NO3)+3 log_k 1.470 #92GRE/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.47E+0 0E+0 0E+0 0E+0 0E+0 1.000U+4 + 2.000NO3- = U(NO3)2+2 log_k 2.300 #92GRE/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0 1.000U+4 + 1.000Nta-3 = U(Nta)+ log_k 20.000 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2E+1 0E+0 0E+0 0E+0 0E+0 1.000U+4 - 1.000H+ + 1.000Edta-4 + 1.000H2O = U(OH)(Edta)- log_k 24.600 #63ERM/KRO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0 1.000U+4 - 1.000H+ + 1.000H2O = U(OH)+3 log_k -0.540 #92GRE/FUG delta_h 46.910 #kJ/mol # Enthalpy of formation: -830.12 #kJ/mol -analytic 7.67827E+0 0E+0 -2.45028E+3 0E+0 0E+0 1.000U+4 - 2.000H+ + 1.000Edta-4 + 2.000H2O = U(OH)2(Edta)-2 log_k 16.500 #63ERM/KRO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.65E+1 0E+0 0E+0 0E+0 0E+0 1.000U+4 - 2.000H+ + 2.000H2O = U(OH)2+2 log_k -1.100 #01NEC/KIM delta_h 59.974 #kJ/mol # Enthalpy of formation: -1102.886 #kJ/mol -analytic 9.40698E+0 0E+0 -3.13266E+3 0E+0 0E+0 1.000U+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = U(OH)3(HGlu) log_k 0.290 #06GAO/MON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.9E-1 0E+0 0E+0 0E+0 0E+0 1.000U+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = U(OH)3(HIsa) log_k 0.290 #06GAO/MON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.9E-1 0E+0 0E+0 0E+0 0E+0 1.000U+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = U(OH)3(HIsa)2- log_k 2.400 #06GAO/MON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0 1.000U+4 - 3.000H+ + 3.000H2O = U(OH)3+ log_k -4.700 #01NEC/KIM delta_h 82.944 #kJ/mol # Enthalpy of formation: -1365.746 #kJ/mol -analytic 9.83114E+0 0E+0 -4.33246E+3 0E+0 0E+0 1.000U+4 - 4.000H+ + 4.000H2O = U(OH)4 log_k -10.000 #03GUI/FAN delta_h 109.881 #kJ/mol # Enthalpy of formation: -1624.639 #kJ/mol -analytic 9.2503E+0 0E+0 -5.73948E+3 0E+0 0E+0 1.000U+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = U(OH)4(HGlu)- log_k -5.940 #06GAO/MON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -5.94E+0 0E+0 0E+0 0E+0 0E+0 1.000U+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = U(OH)4(HIsa)- log_k -6.700 #06GAO/MON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6.7E+0 0E+0 0E+0 0E+0 0E+0 1.000U+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = U(OH)4(HIsa)2-2 log_k -5.100 #06GAO/MON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -5.1E+0 0E+0 0E+0 0E+0 0E+0 1.000U+4 + 2.000Ox-2 = U(Ox)2 log_k 18.630 #12GRI/GAR2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.863E+1 0E+0 0E+0 0E+0 0E+0 1.000U+4 + 3.000Ox-2 = U(Ox)3-2 log_k 24.190 #12GRI/GAR2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.419E+1 0E+0 0E+0 0E+0 0E+0 1.000U+4 + 1.000SO4-2 = U(SO4)+2 log_k 6.580 #92GRE/FUG delta_h 8.000 #kJ/mol #92GRE/FUG # Enthalpy of formation: -1492.54 #kJ/mol -analytic 7.98154E+0 0E+0 -4.17868E+2 0E+0 0E+0 1.000U+4 + 2.000SO4-2 = U(SO4)2 log_k 10.510 #92GRE/FUG delta_h 32.700 #kJ/mol #92GRE/FUG # Enthalpy of formation: -2377.18 #kJ/mol -analytic 1.62388E+1 0E+0 -1.70804E+3 0E+0 0E+0 1.000U+4 + 1.000Br- = UBr+3 log_k 1.460 #92GRE/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.46E+0 0E+0 0E+0 0E+0 0E+0 1.000U+4 + 1.000Cl- = UCl+3 log_k 1.720 #92GRE/FUG delta_h -19.000 #kJ/mol #92GRE/FUG # Enthalpy of formation: -777.28 #kJ/mol -analytic -1.60865E+0 0E+0 9.92438E+2 0E+0 0E+0 1.000U+4 + 1.000F- = UF+3 log_k 9.420 #03GUI/FAN delta_h -5.600 #kJ/mol #92GRE/FUG # Enthalpy of formation: -932.15 #kJ/mol -analytic 8.43892E+0 0E+0 2.92508E+2 0E+0 0E+0 1.000U+4 + 2.000F- = UF2+2 log_k 16.560 #03GUI/FAN delta_h -3.500 #kJ/mol #92GRE/FUG # Enthalpy of formation: -1265.4 #kJ/mol -analytic 1.59468E+1 0E+0 1.82817E+2 0E+0 0E+0 1.000U+4 + 3.000F- = UF3+ log_k 21.890 #03GUI/FAN delta_h 0.500 #kJ/mol #92GRE/FUG # Enthalpy of formation: -1596.75 #kJ/mol -analytic 2.19776E+1 0E+0 -2.61168E+1 0E+0 0E+0 1.000U+4 + 4.000F- = UF4 log_k 26.340 #03GUI/FAN delta_h -8.429 #kJ/mol # Enthalpy of formation: -1941.029 #kJ/mol -analytic 2.48633E+1 0E+0 4.40277E+2 0E+0 0E+0 1.000U+4 + 5.000F- = UF5- log_k 27.730 #03GUI/FAN delta_h -11.624 #kJ/mol # Enthalpy of formation: -2279.574 #kJ/mol -analytic 2.56936E+1 0E+0 6.07163E+2 0E+0 0E+0 1.000U+4 + 6.000F- = UF6-2 log_k 29.800 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.98E+1 0E+0 0E+0 0E+0 0E+0 1.000U+4 + 1.000I- = UI+3 log_k 1.250 #92GRE/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.25E+0 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 1.000Acetate- = UO2(Acetate)+ log_k 3.020 #11RIC/GRI delta_h -35.366 #kJ/mol # Enthalpy of formation: -1540.376 #kJ/mol -analytic -3.17585E+0 0E+0 1.84729E+3 0E+0 0E+0 1.000UO2+2 + 2.000Acetate- = UO2(Acetate)2 log_k 5.200 #11RIC/GRI delta_h -34.958 #kJ/mol # Enthalpy of formation: -2025.978 #kJ/mol -analytic -9.2437E-1 0E+0 1.82598E+3 0E+0 0E+0 1.000UO2+2 + 3.000Acetate- = UO2(Acetate)3- log_k 7.030 #11RIC/GRI delta_h -45.947 #kJ/mol # Enthalpy of formation: -2522.977 #kJ/mol -analytic -1.01956E+0 0E+0 2.39998E+3 0E+0 0E+0 1.000UO2+2 + 1.000CO3-2 = UO2(CO3) log_k 9.940 #03GUI/FAN delta_h 5.000 #kJ/mol #92GRE/FUG # Enthalpy of formation: -1689.23 #kJ/mol -analytic 1.0816E+1 0E+0 -2.61168E+2 0E+0 0E+0 1.000UO2+2 + 2.000CO3-2 = UO2(CO3)2-2 log_k 16.610 #03GUI/FAN delta_h 18.500 #kJ/mol #92GRE/FUG # Enthalpy of formation: -2350.96 #kJ/mol -analytic 1.98511E+1 0E+0 -9.66321E+2 0E+0 0E+0 1.000UO2+2 + 3.000CO3-2 = UO2(CO3)3-4 log_k 121.840 #03GUI/FAN delta_h -39.200 #kJ/mol # Enthalpy of formation: -3083.89 #kJ/mol -analytic 1.49725E+1 0E+0 2.04756E+3 0E+0 0E+0 1.000UO2+ + 3.000CO3-2 = UO2(CO3)3-5 log_k 6.950 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.95E+0 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 1.000Cit-3 = UO2(Cit)- log_k 8.960 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.96E+0 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 1.000Edta-4 = UO2(Edta)-2 log_k 13.700 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.37E+1 0E+0 0E+0 0E+0 0E+0 1.000AsO4-3 + 1.000UO2+2 + 2.000H+ = UO2(H2AsO4)+ log_k 21.960 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.196E+1 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 4.000H+ + 2.000AsO4-3 = UO2(H2AsO4)2 log_k 41.530 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.153E+1 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 1.000H+ + 2.000H2(PO4)- = UO2(H2PO4)(H3PO4)+ log_k 5.930 #92GRE/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 1.000H2(PO4)- = UO2(H2PO4)+ log_k 3.260 #92GRE/FUG delta_h -15.340 #kJ/mol # Enthalpy of formation: -2336.94 #kJ/mol -analytic 5.72551E-1 0E+0 8.01263E+2 0E+0 0E+0 1.000UO2+2 + 2.000H2(PO4)- = UO2(H2PO4)2 log_k 4.920 #92GRE/FUG delta_h -51.871 #kJ/mol # Enthalpy of formation: -6902.925 #kJ/mol -analytic -4.1674E+0 0E+0 2.70941E+3 0E+0 0E+0 1.000UO2+2 + 1.000H+ + 1.000H2(PO4)- = UO2(H3PO4)+2 log_k 2.900 #92GRE/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0 1.000AsO4-3 + 1.000UO2+2 + 1.000H+ = UO2(HAsO4) log_k 18.760 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.876E+1 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 1.000H+ + 1.000Cit-3 = UO2(HCit) log_k 11.360 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.136E+1 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 1.000H+ + 1.000Edta-4 = UO2(HEdta)- log_k 19.610 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.961E+1 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 1.000HIsa- = UO2(HIsa)+ log_k 3.700 #04RAO/GAR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.7E+0 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 2.000HIsa- = UO2(HIsa)2 log_k 6.600 #04RAO/GAR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.6E+0 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 3.000HIsa- = UO2(HIsa)3- log_k 8.500 #04RAO/GAR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 1.000H+ + 1.000Nta-3 = UO2(HNta) log_k 9.000 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9E+0 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 - 1.000H+ + 1.000H2(PO4)- = UO2(HPO4) log_k 0.030 #92GRE/FUG delta_h 2.795 #kJ/mol # Enthalpy of formation: -4408.507 #kJ/mol -analytic 5.19662E-1 0E+0 -1.45993E+2 0E+0 0E+0 1.000UO2+2 + 2.000I- + 3.000O2 = UO2(IO3)2 log_k 38.400 #92GRE/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.84E+1 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 1.000NO3- = UO2(NO3)+ log_k 0.100 #08RAO/TIA delta_h 3.900 #kJ/mol #08RAO/TIA # Enthalpy of formation: -1221.95 #kJ/mol -analytic 7.8325E-1 0E+0 -2.03711E+2 0E+0 0E+0 1.000UO2+2 + 1.000Nta-3 = UO2(Nta)- log_k 10.800 #95AKR/BOU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.08E+1 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 - 1.000H+ + 1.000Ox-2 + 1.000H2O = UO2(OH)(Ox)- log_k 0.630 #56GRI/PTI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.3E-1 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 - 1.000H+ + 1.000H2O = UO2(OH)+ log_k -5.250 #03GUI/FAN delta_h 43.458 #kJ/mol # Enthalpy of formation: -1261.372 #kJ/mol -analytic 2.3635E+0 0E+0 -2.26997E+3 0E+0 0E+0 1.000UO2+2 - 2.000H+ + 2.000H2O = UO2(OH)2 log_k -12.150 #03GUI/FAN delta_h 111.160 #kJ/mol # Enthalpy of formation: -1479.5 #kJ/mol #82WAG/EVA -analytic 7.32437E+0 0E+0 -5.80628E+3 0E+0 0E+0 1.000UO2+2 - 3.000H+ + 3.000H2O = UO2(OH)3- log_k -20.250 #03GUI/FAN delta_h 148.060 #kJ/mol #Estimated by linear correlations # Enthalpy of formation: -1728.43 #kJ/mol -analytic 5.68896E+0 0E+0 -7.7337E+3 0E+0 0E+0 1.000UO2+2 - 4.000H+ + 1.000HIsa- + 4.000H2O = UO2(OH)4(HIsa)-3 log_k -28.100 #06GAO/MON # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.81E+1 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 - 4.000H+ + 4.000H2O = UO2(OH)4-2 log_k -32.400 #03GUI/FAN delta_h 156.138 #kJ/mol # Enthalpy of formation: -2006.182 #kJ/mol -analytic -5.04584E+0 0E+0 -8.15564E+3 0E+0 0E+0 1.000UO2+2 + 1.000Ox-2 = UO2(Ox) log_k 7.130 #05HUM/AND delta_h 25.360 #kJ/mol # Enthalpy of formation: -1824.3 #kJ/mol #05HUM/AND -analytic 1.15729E+1 0E+0 -1.32464E+3 0E+0 0E+0 1.000UO2+2 + 2.000Ox-2 = UO2(Ox)2-2 log_k 11.650 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.165E+1 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 3.000Ox-2 = UO2(Ox)3-4 log_k 13.800 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 - 2.000H+ + 1.000H2(PO4)- = UO2(PO4)- log_k -6.330 #92GRE/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6.33E+0 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 1.000Phthalat-2 = UO2(Phthalat) log_k 5.560 #11GRI/COL3 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.56E+0 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 1.000S2O3-2 = UO2(S2O3) log_k 2.800 #92GRE/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 1.000SO3-2 = UO2(SO3) log_k 6.600 #92GRE/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.6E+0 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 1.000SO4-2 = UO2(SO4) log_k 3.150 #03GUI/FAN delta_h 19.500 #kJ/mol #03GUI/FAN # Enthalpy of formation: -1908.84 #kJ/mol -analytic 6.56625E+0 0E+0 -1.01855E+3 0E+0 0E+0 1.000UO2+2 + 2.000SO4-2 = UO2(SO4)2-2 log_k 4.140 #03GUI/FAN delta_h 35.100 #kJ/mol #03GUI/FAN # Enthalpy of formation: -2802.58 #kJ/mol -analytic 1.02892E+1 0E+0 -1.8334E+3 0E+0 0E+0 1.000UO2+2 + 3.000SO4-2 = UO2(SO4)3-4 log_k 3.020 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.02E+0 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 1.000SeO4-2 = UO2(SeO4) log_k 2.740 #05OLI/NOL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.74E+0 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 2.000SeO4-2 = UO2(SeO4)2-2 log_k 3.100 #99DJO/PIZ recalculated in 05OLI/NOL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.1E+0 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 1.000Succinat-2 = UO2(Succinat) log_k 5.280 #13GRI/CAM # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.28E+0 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 1.000Br- = UO2Br+ log_k 0.220 #92GRE/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.2E-1 0E+0 0E+0 0E+0 0E+0 1.000UO2+2 + 1.000Br- + 1.500O2 = UO2BrO3+ log_k -16.570 #92GRE/FUG delta_h 73.011 #kJ/mol # Enthalpy of formation: -1085.6 #kJ/mol -analytic -3.77904E+0 0E+0 -3.81362E+3 0E+0 0E+0 1.000UO2+2 + 1.000Cl- = UO2Cl+ log_k 0.170 #92GRE/FUG delta_h 8.000 #kJ/mol #92GRE/FUG # Enthalpy of formation: -1178.08 #kJ/mol -analytic 1.57154E+0 0E+0 -4.17868E+2 0E+0 0E+0 1.000UO2+2 + 2.000Cl- = UO2Cl2 log_k -1.100 #92GRE/FUG delta_h 15.000 #kJ/mol #92GRE/FUG # Enthalpy of formation: -1338.16 #kJ/mol -analytic 1.52788E+0 0E+0 -7.83503E+2 0E+0 0E+0 1.000UO2+2 + 1.000Cl- + 1.500O2 = UO2ClO3+ log_k -16.770 #92GRE/FUG delta_h 77.381 #kJ/mol #92GRE/FUG # Enthalpy of formation: -1126.9 #kJ/mol -analytic -3.21345E+0 0E+0 -4.04189E+3 0E+0 0E+0 1.000UO2+2 + 1.000F- = UO2F+ log_k 5.160 #03GUI/FAN delta_h 1.700 #kJ/mol #92GRE/FUG # Enthalpy of formation: -1352.65 #kJ/mol -analytic 5.45783E+0 0E+0 -8.87971E+1 0E+0 0E+0 1.000UO2+2 + 2.000F- = UO2F2 log_k 8.830 #03GUI/FAN delta_h 2.100 #kJ/mol #92GRE/FUG # Enthalpy of formation: -1687.6 #kJ/mol -analytic 9.1979E+0 0E+0 -1.0969E+2 0E+0 0E+0 1.000UO2+2 + 3.000F- = UO2F3- log_k 10.900 #03GUI/FAN delta_h 2.350 #kJ/mol #92GRE/FUG # Enthalpy of formation: -2022.7 #kJ/mol -analytic 1.13117E+1 0E+0 -1.22749E+2 0E+0 0E+0 1.000UO2+2 + 4.000F- = UO2F4-2 log_k 11.840 #03GUI/FAN delta_h 0.290 #kJ/mol #92GRE/FUG # Enthalpy of formation: -2360.11 #kJ/mol -analytic 1.18908E+1 0E+0 -1.51477E+1 0E+0 0E+0 1.000UO2+2 + 1.000I- + 1.500O2 = UO2IO3+ log_k 19.410 #92GRE/FUG delta_h -134.919 #kJ/mol # Enthalpy of formation: -1228.9 #kJ/mol -analytic -4.22676E+0 0E+0 7.0473E+3 0E+0 0E+0 1.000UO2+2 - 1.000H+ + 1.000H4(SiO4) = UO2SiO(OH)3+ log_k -1.840 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.84E+0 0E+0 0E+0 0E+0 0E+0 1.000U+4 + 1.000Ox-2 = UOx+2 log_k 10.670 #12GRI/GAR2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.067E+1 0E+0 0E+0 0E+0 0E+0 1.000Zn+2 + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = Zn(SeCn)+ log_k 57.230 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.723E+1 0E+0 0E+0 0E+0 0E+0 1.000Zn+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 = Zn(SeCn)2 log_k 113.710 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.1371E+2 0E+0 0E+0 0E+0 0E+0 1.000Zn+2 + 1.000SeO4-2 = Zn(SeO4) log_k 2.160 #05OLI/NOL delta_h 4.600 #kJ/mol #05OLI/NOL # Enthalpy of formation: -752.29 #kJ/mol -analytic 2.96588E+0 0E+0 -2.40274E+2 0E+0 0E+0 4.000CO3-2 + 1.000Zr+4 = Zr(CO3)4-4 log_k 42.900 #05BRO/CUR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.29E+1 0E+0 0E+0 0E+0 0E+0 2.000NO3- + 1.000Zr+4 = Zr(NO3)2+2 log_k 2.640 #05BRO/CUR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.64E+0 0E+0 0E+0 0E+0 0E+0 - 1.000H+ + 1.000Zr+4 + 1.000H2O = Zr(OH)+3 log_k 0.320 #05BRO/CUR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.2E-1 0E+0 0E+0 0E+0 0E+0 - 2.000H+ + 1.000Zr+4 + 2.000H2O = Zr(OH)2+2 log_k 0.980 #05BRO/CUR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.8E-1 0E+0 0E+0 0E+0 0E+0 - 4.000H+ + 1.000Zr+4 + 4.000H2O = Zr(OH)4 log_k -2.190 #05BRO/CUR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.19E+0 0E+0 0E+0 0E+0 0E+0 - 6.000H+ + 1.000Zr+4 + 6.000H2O = Zr(OH)6-2 log_k -29.000 #05BRO/CUR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.9E+1 0E+0 0E+0 0E+0 0E+0 2.000SO4-2 + 1.000Zr+4 = Zr(SO4)2 log_k 11.540 #05BRO/CUR delta_h 67.380 #kJ/mol # Enthalpy of formation: -2359.8 #kJ/mol #05BRO/CUR -analytic 2.33445E+1 0E+0 -3.5195E+3 0E+0 0E+0 3.000SO4-2 + 1.000Zr+4 = Zr(SO4)3-2 log_k 14.300 #05BRO/CUR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.43E+1 0E+0 0E+0 0E+0 0E+0 - 4.000H+ + 3.000Zr+4 + 4.000H2O = Zr3(OH)4+8 log_k 0.400 #05BRO/CUR delta_h -1.980 #kJ/mol # Enthalpy of formation: -2970.8 #kJ/mol #05BRO/CUR -analytic 5.31194E-2 0E+0 1.03422E+2 0E+0 0E+0 - 15.000H+ + 4.000Zr+4 + 15.000H2O = Zr4(OH)15+ log_k 12.580 #05BRO/CUR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.258E+1 0E+0 0E+0 0E+0 0E+0 - 16.000H+ + 4.000Zr+4 + 16.000H2O = Zr4(OH)16 log_k 8.390 #05BRO/CUR delta_h 301.120 #kJ/mol # Enthalpy of formation: -6706.16 #kJ/mol #05BRO/CUR -analytic 6.11439E+1 0E+0 -1.57286E+4 0E+0 0E+0 1.000Cl- + 1.000Zr+4 = ZrCl+3 log_k 1.590 #05BRO/CUR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.59E+0 0E+0 0E+0 0E+0 0E+0 2.000Cl- + 1.000Zr+4 = ZrCl2+2 log_k 2.170 #05BRO/CUR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.17E+0 0E+0 0E+0 0E+0 0E+0 1.000F- + 1.000Zr+4 = ZrF+3 log_k 10.120 #05BRO/CUR delta_h -17.500 #kJ/mol #05BRO/CUR # Enthalpy of formation: -961.35 #kJ/mol -analytic 7.05414E+0 0E+0 9.14087E+2 0E+0 0E+0 2.000F- + 1.000Zr+4 = ZrF2+2 log_k 18.550 #05BRO/CUR delta_h -16.800 #kJ/mol #05BRO/CUR # Enthalpy of formation: -1296 #kJ/mol -analytic 1.56068E+1 0E+0 8.77524E+2 0E+0 0E+0 3.000F- + 1.000Zr+4 = ZrF3+ log_k 24.720 #05BRO/CUR delta_h -11.200 #kJ/mol #05BRO/CUR # Enthalpy of formation: -1625.75 #kJ/mol -analytic 2.27578E+1 0E+0 5.85016E+2 0E+0 0E+0 4.000F- + 1.000Zr+4 = ZrF4 log_k 30.110 #05BRO/CUR delta_h -22.000 #kJ/mol #05BRO/CUR # Enthalpy of formation: -1971.9 #kJ/mol -analytic 2.62558E+1 0E+0 1.14914E+3 0E+0 0E+0 5.000F- + 1.000Zr+4 = ZrF5- log_k 34.600 #05BRO/CUR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.46E+1 0E+0 0E+0 0E+0 0E+0 6.000F- + 1.000Zr+4 = ZrF6-2 log_k 38.110 #05BRO/CUR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.811E+1 0E+0 0E+0 0E+0 0E+0 1.000NO3- + 1.000Zr+4 = ZrNO3+3 log_k 1.590 #05BRO/CUR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.59E+0 0E+0 0E+0 0E+0 0E+0 1.000SO4-2 + 1.000Zr+4 = ZrSO4+2 log_k 7.040 #05BRO/CUR delta_h 36.940 #kJ/mol # Enthalpy of formation: -1480.9 #kJ/mol #05BRO/CUR -analytic 1.35116E+1 0E+0 -1.92951E+3 0E+0 0E+0 PHASES (UO2)2(As2O7)(cr) (UO2)2(As2O7) = 2.000UO2+2 + 2.000H+ + 2.000AsO4-3 - 1.000H2O log_k -29.010 delta_h -102.450 #kJ/mol # Enthalpy of formation: -3426 #kJ/mol #92GRE/FUG -analytic -4.69584E+1 0E+0 5.35133E+3 0E+0 0E+0 (UO2)3(AsO4)2(cr) (UO2)3(AsO4)2 = 3.000UO2+2 + 2.000AsO4-3 log_k -27.400 delta_h -143.880 #kJ/mol # Enthalpy of formation: -4689.4 #kJ/mol #92GRE/FUG -analytic -5.26067E+1 0E+0 7.51536E+3 0E+0 0E+0 (UO2)3(PO4)2(cr) (UO2)3(PO4)2 = 3.000UO2+2 - 4.000H+ + 2.000H2(PO4)- log_k 2.800 delta_h -170.900 #kJ/mol # Enthalpy of formation: -5491.3 #kJ/mol #92GRE/FUG -analytic -2.71404E+1 0E+0 8.92672E+3 0E+0 0E+0 (UO2)3(PO4)2:4H2O(cr) (UO2)3(PO4)2:4H2O = 3.000UO2+2 - 4.000H+ + 2.000H2(PO4)- + 4.000H2O log_k -14.150 #92SAN/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.415E+1 0E+0 0E+0 0E+0 0E+0 (UO2)3(PO4)2:6H2O(s) (UO2)3(PO4)2:6H2O = 3.000UO2+2 - 4.000H+ + 2.000H2(PO4)- + 6.000H2O log_k -10.200 delta_h -48.780 #kJ/mol # Enthalpy of formation: -7328.4 #kJ/mol #03GUI/FAN -analytic -1.87459E+1 0E+0 2.54795E+3 0E+0 0E+0 Acanthite Ag2S = 2.000Ag+ - 1.000H+ + 1.000HS- log_k -36.070 delta_h 224.768 #kJ/mol # Enthalpy of formation: -29.488 #kJ/mol -analytic 3.30761E+0 0E+0 -1.17404E+4 0E+0 0E+0 Acmite NaFeSi2O6 = 1.000Na+ + 1.000Fe+3 - 4.000H+ + 2.000H4(SiO4) - 2.000H2O log_k 0.920 delta_h -55.568 #kJ/mol # Enthalpy of formation: -2584.5 #kJ/mol #95ROB/HEM -analytic -8.81508E+0 0E+0 2.90251E+3 0E+0 0E+0 Afwillite Ca3Si2O4(OH)6 = 3.000Ca+2 - 6.000H+ + 2.000H4(SiO4) + 2.000H2O log_k 49.420 #10BLA/BOU1 delta_h -269.228 #kJ/mol # Enthalpy of formation: -4853.82 #kJ/mol #10BLA/BOU1 -analytic 2.25335E+0 0E+0 1.40627E+4 0E+0 0E+0 Ag(OH)(s) Ag(OH) = 1.000Ag+ - 1.000H+ + 1.000H2O log_k 6.300 #76BAE/MES # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.3E+0 0E+0 0E+0 0E+0 0E+0 Ag(SeCn)(cr) Ag(SeCn) = 1.000Ag+ + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 log_k -70.020 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -7.002E+1 0E+0 0E+0 0E+0 0E+0 Ag(s) Ag = 1.000Ag+ + 0.500H2O - 1.000H+ - 0.250O2 log_k 7.985 delta_h -34.092 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #95SIL/BID -analytic 2.01243E+0 0E+0 1.78072E+3 0E+0 0E+0 Ag2(CO3)(s) Ag2(CO3) = 2.000Ag+ + 1.000CO3-2 log_k -11.050 delta_h 42.073 #kJ/mol # Enthalpy of formation: -505.723 #kJ/mol -analytic -3.67914E+0 0E+0 -2.19762E+3 0E+0 0E+0 Ag2(MoO4)(s) Ag2(MoO4) = 2.000Ag+ + 1.000MoO4-2 log_k -11.460 delta_h 55.354 #kJ/mol # Enthalpy of formation: -840.774 #kJ/mol -analytic -1.76241E+0 0E+0 -2.89134E+3 0E+0 0E+0 Ag2(SO4)(s) Ag2(SO4) = 2.000Ag+ + 1.000SO4-2 log_k -5.010 delta_h 18.162 #kJ/mol # Enthalpy of formation: -715.922 #kJ/mol -analytic -1.82816E+0 0E+0 -9.48666E+2 0E+0 0E+0 Ag2(SeO3)(s) Ag2(SeO3) = 2.000Ag+ + 1.000SeO3-2 log_k -15.800 #05OLI/NOL delta_h 67.860 #kJ/mol # Enthalpy of formation: -363.44 #kJ/mol #05OLI/NOL -analytic -3.91146E+0 0E+0 -3.54457E+3 0E+0 0E+0 Ag2(SeO4)(s) Ag2(SeO4) = 2.000Ag+ + 1.000SeO4-2 log_k -7.860 #05OLI/NOL delta_h 30.590 #kJ/mol # Enthalpy of formation: -422.51 #kJ/mol #05OLI/NOL -analytic -2.50087E+0 0E+0 -1.59782E+3 0E+0 0E+0 Ag2Se(alfa) Ag2Se = 2.000Ag+ - 1.000H+ + 1.000HSe- log_k -42.850 delta_h 266.009 #kJ/mol # Enthalpy of formation: -40.129 #kJ/mol -analytic 3.75271E+0 0E+0 -1.38946E+4 0E+0 0E+0 Ag3(PO4)(s) Ag3(PO4) = 3.000Ag+ - 2.000H+ + 1.000H2(PO4)- log_k 2.010 #03B¿T in 76SMI/MAR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.01E+0 0E+0 0E+0 0E+0 0E+0 AgBr(s) AgBr = 1.000Ag+ + 1.000Br- log_k -12.290 delta_h 84.725 #kJ/mol # Enthalpy of formation: -100.345 #kJ/mol -analytic 2.55316E+0 0E+0 -4.42549E+3 0E+0 0E+0 AgCl(cr) AgCl = 1.000Ag+ + 1.000Cl- log_k -9.750 delta_h 65.720 #kJ/mol # Enthalpy of formation: -127.01 #kJ/mol #92GRE/FUG -analytic 1.76363E+0 0E+0 -3.43279E+3 0E+0 0E+0 AgI(s) AgI = 1.000Ag+ + 1.000I- log_k -16.040 delta_h 110.764 #kJ/mol # Enthalpy of formation: -61.754 #kJ/mol -analytic 3.36499E+0 0E+0 -5.7856E+3 0E+0 0E+0 Al(PO4)(cr) Al(PO4) = 1.000Al+3 - 2.000H+ + 1.000H2(PO4)- log_k -2.940 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) # delta_h 0.000 #kJ/mol # Enthalpy of formation: -1822.8 #kJ/mol -analytic -2.94E+0 0E+0 0E+0 0E+0 0E+0 Al(PO4):2H2O(s) Al(PO4):2H2O = 1.000Al+3 - 2.000H+ + 1.000H2(PO4)- + 2.000H2O log_k -2.510 #620BRG91.025 ANDRA 21.10.94 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.51E+0 0E+0 0E+0 0E+0 0E+0 Al(s) Al = 1.000Al+3 + 1.500H2O - 3.000H+ - 0.750O2 log_k 149.915 delta_h -958.045 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #95POK/HEL -analytic -1.79269E+1 0E+0 5.00421E+4 0E+0 0E+0 Al2(OH)(PO4)2(s) Al2(OH)(PO4)2 = 2.000Al+3 - 4.000H+ + 2.000H2(PO4)- + 0.500H2O + 0.250O2 log_k -37.375 #620BRG91.025 ANDRA 21.10.94 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.7375E+1 0E+0 0E+0 0E+0 0E+0 Alabandite MnS = 1.000Mn+2 - 1.000H+ + 1.000HS- log_k 0.900 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9E-1 0E+0 0E+0 0E+0 0E+0 Alamosite PbSiO3 = 1.000Pb+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O log_k 6.170 delta_h -29.451 #kJ/mol # Enthalpy of formation: -1144.993 #kJ/mol #98CHA -analytic 1.01041E+0 0E+0 1.53833E+3 0E+0 0E+0 Albite-high NaAlSi3O8 = 1.000Na+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O log_k 4.140 delta_h -95.623 #kJ/mol # Enthalpy of formation: -3923.38 #kJ/mol #99ARN/STE -analytic -1.26124E+1 0E+0 4.99473E+3 0E+0 0E+0 Albite-low NaAlSi3O8 = 1.000Na+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O log_k 2.740 delta_h -82.813 #kJ/mol # Enthalpy of formation: -3936.19 #kJ/mol #99ARN/STE -analytic -1.17682E+1 0E+0 4.32562E+3 0E+0 0E+0 Am(CO3)(OH)(am) Am(CO3)(OH) = - 1.000H+ + 1.000Am+3 + 1.000CO3-2 + 1.000H2O log_k -6.200 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6.2E+0 0E+0 0E+0 0E+0 0E+0 Am(CO3)(OH)(cr) Am(CO3)(OH) = - 1.000H+ + 1.000Am+3 + 1.000CO3-2 + 1.000H2O log_k -11.510 delta_h -25.260 #kJ/mol # Enthalpy of formation: -1552.5 #kJ/mol #05ROR/FUG -analytic -1.59354E+1 0E+0 1.31942E+3 0E+0 0E+0 Am(CO3)(OH):0.5H2O(cr) Am(CO3)(OH):0.5H2O = - 1.000H+ + 1.000Am+3 + 1.000CO3-2 + 1.500H2O log_k -8.400 #03GUI/FAN delta_h -37.775 #kJ/mol # Enthalpy of formation: -1682.9 #kJ/mol #03GUI/FAN -analytic -1.50179E+1 0E+0 1.97312E+3 0E+0 0E+0 Am(CO3)2Na:5H2O(s) Am(CO3)2Na:5H2O = 1.000Na+ + 1.000Am+3 + 2.000CO3-2 + 5.000H2O log_k -21.000 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0 Am(OH)3(am) Am(OH)3 = - 3.000H+ + 1.000Am+3 + 3.000H2O log_k 16.900 #03GUI/FAN, 83RAI/STR, 83EDE/BUC, 85NIT/EDE # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.69E+1 0E+0 0E+0 0E+0 0E+0 Am(OH)3(cr) Am(OH)3 = - 3.000H+ + 1.000Am+3 + 3.000H2O log_k 15.600 #03GUI/FAN, 82SIL, 88STA/KIM1 delta_h -120.992 #kJ/mol # Enthalpy of formation: -1353.2 #kJ/mol -analytic -5.59686E+0 0E+0 6.31984E+3 0E+0 0E+0 Am(PO4):xH2O(am) Am(PO4) = - 2.000H+ + 1.000Am+3 + 1.000H2(PO4)- log_k -5.230 #95SIL/BID # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -5.23E+0 0E+0 0E+0 0E+0 0E+0 Am(cr) Am = 1.000Am+3 + 1.500H2O - 3.000H+ - 0.750O2 log_k 169.375 delta_h -1036.345 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #95SIL/BID -analytic -1.21845E+1 0E+0 5.4132E+4 0E+0 0E+0 Am2(CO3)3(cr) Am2(CO3)3 = 2.000Am+3 + 3.000CO3-2 log_k -33.400 #95SIL/BID # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.34E+1 0E+0 0E+0 0E+0 0E+0 Am2O3(cr) Am2O3 = - 6.000H+ + 2.000Am+3 + 3.000H2O log_k 53.150 delta_h -400.490 #kJ/mol # Enthalpy of formation: -1690.4 #kJ/mol #95SIL/BID -analytic -1.70127E+1 0E+0 2.0919E+4 0E+0 0E+0 AmBr3(cr) AmBr3 = 1.000Am+3 + 3.000Br- log_k 23.930 delta_h -176.930 #kJ/mol # Enthalpy of formation: -804 #kJ/mol #03GUI/FAN -analytic -7.06676E+0 0E+0 9.24168E+3 0E+0 0E+0 AmCl3(cr) AmCl3 = 1.000Am+3 + 3.000Cl- log_k 15.280 delta_h -140.140 #kJ/mol # Enthalpy of formation: -977.8 #kJ/mol #95SIL/BID -analytic -9.27144E+0 0E+0 7.32001E+3 0E+0 0E+0 AmCl6Cs2Na(cr) AmCl6Cs2Na = 1.000Na+ + 2.000Cs+ + 1.000Am+3 + 6.000Cl- log_k 12.560 delta_h -59.720 #kJ/mol # Enthalpy of formation: -2315.8 #kJ/mol #03GUI/FAN -analytic 2.09752E+0 0E+0 3.11939E+3 0E+0 0E+0 AmF3(cr) AmF3 = 1.000Am+3 + 3.000F- log_k -13.400 delta_h -28.750 #kJ/mol # Enthalpy of formation: -1594 #kJ/mol #03GUI/FAN -analytic -1.84368E+1 0E+0 1.50171E+3 0E+0 0E+0 AmI3(cr) AmI3 = 1.000Am+3 + 3.000I- log_k 25.300 delta_h -172.040 #kJ/mol # Enthalpy of formation: -615 #kJ/mol #03GUI/FAN -analytic -4.84007E+0 0E+0 8.98626E+3 0E+0 0E+0 AmO2(cr) AmO2 = - 3.000H+ + 1.000Am+3 + 1.500H2O + 0.250O2 log_k 12.715 delta_h -116.279 #kJ/mol # Enthalpy of formation: -932.2 #kJ/mol #95SIL/BID -analytic -7.65609E+0 0E+0 6.07364E+3 0E+0 0E+0 AmO2OH(am) AmO2OH = - 1.000H+ + 1.000AmO2+ + 1.000H2O log_k 5.300 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.3E+0 0E+0 0E+0 0E+0 0E+0 AmOBr(cr) AmOBr = - 2.000H+ + 1.000Am+3 + 1.000Br- + 1.000H2O log_k 15.980 delta_h -136.940 #kJ/mol # Enthalpy of formation: -887 #kJ/mol #03GUI/FAN -analytic -8.01082E+0 0E+0 7.15286E+3 0E+0 0E+0 AmOCl(cr) AmOCl = - 2.000H+ + 1.000Am+3 + 1.000Cl- + 1.000H2O log_k 12.260 delta_h -119.810 #kJ/mol # Enthalpy of formation: -949.8 #kJ/mol #95SIL/BID -analytic -8.72978E+0 0E+0 6.2581E+3 0E+0 0E+0 Amesite Mg4Al4Si2O10(OH)8 = 4.000Mg+2 + 4.000Al+3 - 20.000H+ + 2.000H4(SiO4) + 10.000H2O log_k 69.420 delta_h -766.388 #kJ/mol # Enthalpy of formation: -9035.9 #kJ/mol #05VID/PAR -analytic -6.48452E+1 0E+0 4.00312E+4 0E+0 0E+0 Amesite-Fe Fe4Al4Si2O10(OH)8 = 4.000Fe+2 + 4.000Al+3 - 20.000H+ + 2.000H4(SiO4) + 10.000H2O log_k 57.040 delta_h -686.828 #kJ/mol # Enthalpy of formation: -7607.46 #kJ/mol #05VID/PAR -analytic -6.32869E+1 0E+0 3.58755E+4 0E+0 0E+0 Analcime Na0.99Al0.99Si2.01O6:H2O = 0.990Na+ + 0.990Al+3 - 3.960H+ + 2.010H4(SiO4) - 1.040H2O log_k 6.650 delta_h -102.689 #kJ/mol # Enthalpy of formation: -3308 #kJ/mol #04NEU/HOV -analytic -1.13403E+1 0E+0 5.36381E+3 0E+0 0E+0 Anapaite Ca2Fe(PO4)2:4H2O = 2.000Ca+2 + 1.000Fe+2 - 4.000H+ + 2.000H2(PO4)- + 4.000H2O log_k 5.020 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.02E+0 0E+0 0E+0 0E+0 0E+0 Anglesite Pb(SO4) = 1.000Pb+2 + 1.000SO4-2 log_k -7.850 delta_h 11.550 #kJ/mol # Enthalpy of formation: -919.97 #kJ/mol #89COX/WAG -analytic -5.82653E+0 0E+0 -6.03298E+2 0E+0 0E+0 Anhydrite Ca(SO4) = 1.000Ca+2 + 1.000SO4-2 log_k -4.440 delta_h -17.940 #kJ/mol # Enthalpy of formation: -1434.4 #kJ/mol #95ROB/HEM -analytic -7.58295E+0 0E+0 9.3707E+2 0E+0 0E+0 Annite KFe3Si3AlO10(OH)2 = 1.000K+ + 3.000Fe+2 + 1.000Al+3 - 10.000H+ + 3.000H4(SiO4) log_k 32.770 delta_h -313.152 #kJ/mol # Enthalpy of formation: -5130.97 #kJ/mol #95DAC/BEN -analytic -2.20918E+1 0E+0 1.6357E+4 0E+0 0E+0 Anorthite CaAl2Si2O8 = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 2.000H4(SiO4) log_k 25.310 delta_h -314.358 #kJ/mol # Enthalpy of formation: -4227.83 #kJ/mol #99ARN/STE -analytic -2.97631E+1 0E+0 1.642E+4 0E+0 0E+0 Antarcticite CaCl2:6H2O = 1.000Ca+2 + 2.000Cl- + 6.000H2O log_k 3.940 delta_h 13.990 #kJ/mol # Enthalpy of formation: -2606.13 #kJ/mol #87GAR/PAR -analytic 6.39094E+0 0E+0 -7.30748E+2 0E+0 0E+0 Antigorite Mg48Si34O85(OH)62 = 48.000Mg+2 - 96.000H+ + 34.000H4(SiO4) + 11.000H2O log_k 500.160 delta_h -3822.746 #kJ/mol # Enthalpy of formation: -71417.98 #kJ/mol #98HOL/POW -analytic -1.69555E+2 0E+0 1.99676E+5 0E+0 0E+0 Aragonite CaCO3 = 1.000Ca+2 + 1.000CO3-2 log_k -8.310 delta_h -10.454 #kJ/mol # Enthalpy of formation: -1207.776 #kJ/mol #87GAR/PAR -analytic -1.01415E+1 0E+0 5.4605E+2 0E+0 0E+0 Arcanite K2SO4 = 2.000K+ + 1.000SO4-2 log_k -1.850 delta_h 24.080 #kJ/mol # Enthalpy of formation: -1437.7 #kJ/mol #95ROB/HEM -analytic 2.36863E+0 0E+0 -1.25778E+3 0E+0 0E+0 Artinite Mg2(CO3)(OH)2:3H2O = 2.000Mg+2 - 2.000H+ + 1.000CO3-2 + 5.000H2O log_k 9.810 delta_h -117.780 #kJ/mol # Enthalpy of formation: -2920.6 #kJ/mol #73HEM/ROB -analytic -1.08241E+1 0E+0 6.15207E+3 0E+0 0E+0 As(s) As = 3.000H+ + 1.000AsO4-3 - 1.500H2O - 1.250O2 log_k 54.885 delta_h -444.228 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #09RAN/FUG -analytic -2.29402E+1 0E+0 2.32036E+4 0E+0 0E+0 As2O5(s) As2O5 = 6.000H+ + 2.000AsO4-3 - 3.000H2O log_k -35.340 delta_h 10.640 #kJ/mol # Enthalpy of formation: -929.43 #kJ/mol #65BEE/MOR -analytic -3.3476E+1 0E+0 -5.55765E+2 0E+0 0E+0 B(OH)3(cr) B(OH)3 = 1.000H+ + 1.000B(OH)4- - 1.000H2O log_k -9.310 delta_h 35.514 #kJ/mol # Enthalpy of formation: -1094.8 #kJ/mol #01LEM/FUG -analytic -3.08822E+0 0E+0 -1.85502E+3 0E+0 0E+0 B(cr) B = 1.000H+ + 1.000B(OH)4- - 2.500H2O - 0.750O2 log_k 100.415 delta_h -621.441 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG -analytic -8.45654E+0 0E+0 3.24601E+4 0E+0 0E+0 B2O3(am) B2O3 = 2.000H+ + 2.000B(OH)4- - 5.000H2O log_k -10.630 delta_h -6.711 #kJ/mol # Enthalpy of formation: -1254.371 #kJ/mol -analytic -1.18057E+1 0E+0 3.50539E+2 0E+0 0E+0 B2O3(cr) B2O3 = 2.000H+ + 2.000B(OH)4- - 5.000H2O log_k -12.740 delta_h 12.418 #kJ/mol # Enthalpy of formation: -1273.5 #kJ/mol #01LEM/FUG -analytic -1.05645E+1 0E+0 -6.48636E+2 0E+0 0E+0 Ba(OH)2:8H2O(cr) Ba(OH)2:8H2O = 1.000Ba+2 - 2.000H+ + 10.000H2O log_k 23.870 delta_h -52.509 #kJ/mol # Enthalpy of formation: -3340.591 #kJ/mol -analytic 1.46708E+1 0E+0 2.74273E+3 0E+0 0E+0 Ba(SeO3)(s) Ba(SeO3) = 1.000Ba+2 + 1.000SeO3-2 log_k -6.500 #05OLI/NOL delta_h -5.260 #kJ/mol # Enthalpy of formation: -1036.7 #kJ/mol #05OLI/NOL -analytic -7.42151E+0 0E+0 2.74749E+2 0E+0 0E+0 Ba(SeO4)(cr) Ba(SeO4) = 1.000Ba+2 + 1.000SeO4-2 log_k -7.560 #05OLI/NOL delta_h 5.700 #kJ/mol # Enthalpy of formation: -1144 #kJ/mol #05OLI/NOL -analytic -6.5614E+0 0E+0 -2.97731E+2 0E+0 0E+0 Ba(cr) Ba = 1.000Ba+2 + 1.000H2O - 2.000H+ - 0.500O2 log_k 140.690 delta_h -814.563 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG -analytic -2.0151E+0 0E+0 4.25475E+4 0E+0 0E+0 BaCl2(cr) BaCl2 = 1.000Ba+2 + 2.000Cl- log_k 2.300 delta_h -13.760 #kJ/mol # Enthalpy of formation: -855.2 #kJ/mol #95SIL/BID -analytic -1.10645E-1 0E+0 7.18734E+2 0E+0 0E+0 BaCl2:2H2O(s) BaCl2:2H2O = 1.000Ba+2 + 2.000Cl- + 2.000H2O log_k -0.340 delta_h 19.418 #kJ/mol # Enthalpy of formation: -1460.038 #kJ/mol -analytic 3.06188E+0 0E+0 -1.01427E+3 0E+0 0E+0 BaCl2:H2O(s) BaCl2:H2O = 1.000Ba+2 + 2.000Cl- + 1.000H2O log_k 0.280 delta_h 5.746 #kJ/mol # Enthalpy of formation: -1160.536 #kJ/mol -analytic 1.28665E+0 0E+0 -3.00134E+2 0E+0 0E+0 BaF2(cr) BaF2 = 1.000Ba+2 + 2.000F- log_k -6.320 delta_h 1.631 #kJ/mol # Enthalpy of formation: -1207.131 #kJ/mol -analytic -6.03426E+0 0E+0 -8.51929E+1 0E+0 0E+0 BaHPO4(s) BaHPO4 = 1.000Ba+2 - 1.000H+ + 1.000H2(PO4)- log_k -0.190 #66SPI/MIK in 76SMI/MAR delta_h -22.800 #kJ/mol # Enthalpy of formation: -1814.6 #kJ/mol #82WAG/EVA -analytic -4.18438E+0 0E+0 1.19093E+3 0E+0 0E+0 BaMoO4(s) BaMoO4 = 1.000Ba+2 + 1.000MoO4-2 log_k -7.830 delta_h 13.822 #kJ/mol # Enthalpy of formation: -1545.622 #kJ/mol -analytic -5.40849E+0 0E+0 -7.21972E+2 0E+0 0E+0 BaO(cr) BaO = 1.000Ba+2 - 2.000H+ + 1.000H2O log_k 48.070 delta_h -272.530 #kJ/mol # Enthalpy of formation: -548.1 #kJ/mol #95SIL/BID -analytic 3.24864E-1 0E+0 1.42352E+4 0E+0 0E+0 BaS(s) BaS = 1.000Ba+2 - 1.000H+ + 1.000HS- log_k 15.660 delta_h -90.248 #kJ/mol # Enthalpy of formation: -460.852 #kJ/mol -analytic -1.50748E-1 0E+0 4.71397E+3 0E+0 0E+0 Barite Ba(SO4) = 1.000Ba+2 + 1.000SO4-2 log_k -9.970 #85LAN/MEL in 90NOR/PLU delta_h 26.460 #kJ/mol #85LAN/MEL in 90NOR/PLU # Enthalpy of formation: -1470.6 #kJ/mol -analytic -5.33441E+0 0E+0 -1.3821E+3 0E+0 0E+0 Bassanite CaSO4:0.5H2O = 1.000Ca+2 + 1.000SO4-2 + 0.500H2O log_k -3.920 #06BLA/PIA delta_h -17.358 #kJ/mol # Enthalpy of formation: -1577.897 #kJ/mol -analytic -6.96099E+0 0E+0 9.0667E+2 0E+0 0E+0 Bassetite Fe(UO2)2(PO4)2 = 1.000Fe+2 + 2.000UO2+2 - 4.000H+ + 2.000H2(PO4)- log_k -1.070 #65MUT/HIR delta_h -36.464 #kJ/mol # Enthalpy of formation: -8996.928 #kJ/mol -analytic -7.45821E+0 0E+0 1.90464E+3 0E+0 0E+0 Becquerelite(nat) Ca(UO2)6O4(OH)6:8H2O = 1.000Ca+2 + 6.000UO2+2 - 14.000H+ + 18.000H2O log_k 29.000 #97CAS/BRU delta_h -378.310 #kJ/mol # Enthalpy of formation: -11423.63 #kJ/mol #99CHE/EWI -analytic -3.7277E+1 0E+0 1.97605E+4 0E+0 0E+0 Becquerelite(syn) Ca(UO2)6O4(OH)6:8H2O = 1.000Ca+2 + 6.000UO2+2 - 14.000H+ + 18.000H2O log_k 40.500 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.05E+1 0E+0 0E+0 0E+0 0E+0 Beidellite-Ca Ca0.17Al2.34Si3.66O10(OH)2 = 0.170Ca+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O log_k 5.770 delta_h -207.635 #kJ/mol # Enthalpy of formation: -5737.91 #kJ/mol #15BLA/VIE -analytic -3.0606E+1 0E+0 1.08455E+4 0E+0 0E+0 Beidellite-K K0.34Al2.34Si3.66O10(OH)2 = 0.340K+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O log_k 4.600 delta_h -189.102 #kJ/mol # Enthalpy of formation: -5749.86 #kJ/mol #15BLA/VIE -analytic -2.85292E+1 0E+0 9.87747E+3 0E+0 0E+0 Beidellite-Mg Mg0.17Al2.34Si3.66O10(OH)2 = 0.170Mg+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O log_k 5.230 delta_h -208.815 #kJ/mol # Enthalpy of formation: -5723.81 #kJ/mol #15BLA/VIE -analytic -3.13528E+1 0E+0 1.09072E+4 0E+0 0E+0 Beidellite-Na Na0.34Al2.34Si3.66O10(OH)2 = 0.340Na+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O log_k 5.100 delta_h -197.720 #kJ/mol # Enthalpy of formation: -5737.23 #kJ/mol #15BLA/VIE -analytic -2.9539E+1 0E+0 1.03276E+4 0E+0 0E+0 Beidellite_SBld-1 Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.090Fe0.112)O10(OH)2 = 0.185Ca+2 + 0.090Mg+2 + 0.104K+ + 0.112Fe+3 + 2.238Al+3 - 7.704H+ + 3.574H4(SiO4) - 2.296H2O log_k 7.590 delta_h -224.486 #kJ/mol # Enthalpy of formation: -5720.69 #kJ/mol #12GAI/BLA -analytic -3.17382E+1 0E+0 1.17257E+4 0E+0 0E+0 Beidellite_SBld-1(4.576H2O) Ca0.185K0.104Si3.574Al2.238Mg0.090Fe0.112O10(OH)2:4.576H2O = 0.185Ca+2 + 0.090Mg+2 + 0.104K+ + 0.112Fe+3 + 2.238Al+3 - 7.704H+ + 3.574H4(SiO4) + 2.280H2O log_k 4.290 delta_h -193.685 #kJ/mol # Enthalpy of formation: -7059.45 #kJ/mol #12GAI/BLA -analytic -2.96421E+1 0E+0 1.01169E+4 0E+0 0E+0 Berlinite Al(PO4) = 1.000Al+3 - 2.000H+ + 1.000H2(PO4)- log_k -0.570 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -5.7E-1 0E+0 0E+0 0E+0 0E+0 Berndtite SnS2 = 1.000Sn+4 - 2.000H+ + 2.000HS- log_k -37.560 delta_h 87.401 #kJ/mol # Enthalpy of formation: -151.5 #kJ/mol #12GAM/GAJ -analytic -2.2248E+1 0E+0 -4.56527E+3 0E+0 0E+0 Berthierine(FeII) (Fe2Al)(SiAl)O5(OH)4 = 2.000Al+3 + 1.000H4(SiO4) + 2.000Fe+2 + 5.000H2O - 10.000H+ log_k 34.560 delta_h -376.684 #kJ/mol # Enthalpy of formation: -3770.46 #kJ/mol #15BLA/VIE -analytic -3.14321E+1 0E+0 1.96755E+4 0E+0 0E+0 Berthierine(FeIII) (Fe2.34Fe0.33Al0.33)(Si1.34Al0.66)O5(OH)4 = 0.330Fe+3 + 2.340Fe+2 + 0.990Al+3 - 8.640H+ + 1.340H4(SiO4) + 3.640H2O log_k 28.800 delta_h -300.177 #kJ/mol # Enthalpy of formation: -3458.03 #kJ/mol #15BLA/VIE -analytic -2.37887E+1 0E+0 1.56793E+4 0E+0 0E+0 Berthierine_ISGS (Si1.332Al0.668)(Al0.976Fe0.182Fe1.44Mg0.157)O5(OH)4 = 0.157Mg+2 + 0.182Fe+3 + 1.644Al+3 + 1.332H4(SiO4) + 1.440Fe+2 + 3.672H2O - 8.672H+ log_k 27.930 delta_h -318.385 #kJ/mol # Enthalpy of formation: -3774.46 #kJ/mol #13BLA/GAI2 -analytic -2.78486E+1 0E+0 1.66304E+4 0E+0 0E+0 Berthierine_Lorraine Fe0.608Fe0.936Mg0.37Al1.052Si1.52O5(OH)4 = 0.370Mg+2 + 0.936Fe+3 + 0.608Fe+2 + 1.052Al+3 - 7.920H+ + 1.520H4(SiO4) + 2.920H2O log_k 1.030 delta_h -162.510 #kJ/mol # Enthalpy of formation: -3732.9 #kJ/mol #08GAI -analytic -2.74405E+1 0E+0 8.48848E+3 0E+0 0E+0 Bieberite CoSO4:7H2O = 1.000Co+2 + 1.000SO4-2 + 7.000H2O log_k -2.350 delta_h 11.840 #kJ/mol # Enthalpy of formation: -2979.59 #kJ/mol #74NAU/RYZ -analytic -2.75724E-1 0E+0 -6.18445E+2 0E+0 0E+0 Bischofite MgCl2:6H2O = 1.000Mg+2 + 2.000Cl- + 6.000H2O log_k 4.460 #84HAR/MOL delta_h -8.710 #kJ/mol # Enthalpy of formation: -2507.43 #kJ/mol -analytic 2.93408E+0 0E+0 4.54954E+2 0E+0 0E+0 Bloedite Na2Mg(SO4)2:4H2O = 1.000Mg+2 + 2.000Na+ + 2.000SO4-2 + 4.000H2O log_k -2.350 #84HAR/MOL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.35E+0 0E+0 0E+0 0E+0 0E+0 Boehmite AlO(OH) = 1.000Al+3 - 3.000H+ + 2.000H2O log_k 7.620 delta_h -113.660 #kJ/mol # Enthalpy of formation: -996.4 #kJ/mol #95ROB/HEM -analytic -1.22923E+1 0E+0 5.93687E+3 0E+0 0E+0 Brucite Mg(OH)2 = 1.000Mg+2 - 2.000H+ + 2.000H2O log_k 17.100 #03ALT/MET delta_h -114.160 #kJ/mol # Enthalpy of formation: -924.5 #kJ/mol #95ROB/HEM -analytic -2.89994E+0 0E+0 5.96298E+3 0E+0 0E+0 Brushite Ca(HPO4):2H2O = 1.000Ca+2 - 1.000H+ + 1.000H2(PO4)- + 2.000H2O log_k 0.600 #84NAN delta_h -7.375 #kJ/mol # Enthalpy of formation: -2409.885 #kJ/mol -analytic -6.92043E-1 0E+0 3.85223E+2 0E+0 0E+0 Bunsenite NiO = 1.000Ni+2 - 2.000H+ + 1.000H2O log_k 12.480 delta_h -101.142 #kJ/mol # Enthalpy of formation: -239.7 #kJ/mol #05GAM/BUG -analytic -5.23929E+0 0E+0 5.28301E+3 0E+0 0E+0 Burkeite Na6(CO3)(SO4)2 = 6.000Na+ + 1.000CO3-2 + 2.000SO4-2 log_k -0.770 #84HAR/MOL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -7.7E-1 0E+0 0E+0 0E+0 0E+0 C(cr) C = 2.000H+ + 1.000CO3-2 - 1.000H2O - 1.000O2 log_k 53.830 delta_h -377.266 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #89COX/WAG -analytic -1.22641E+1 0E+0 1.97059E+4 0E+0 0E+0 C2SH(alpha) Ca2(HSiO4)(OH) = 2.000Ca+2 - 4.000H+ + 1.000H4(SiO4) + 1.000H2O log_k 35.540 delta_h -198.104 #kJ/mol # Enthalpy of formation: -2634.92 #kJ/mol #10BLA/BOU1 -analytic 8.3372E-1 0E+0 1.03477E+4 0E+0 0E+0 C3AH6 Ca3Al2(OH)12 = 3.000Ca+2 + 2.000Al+3 - 12.000H+ + 12.000H2O log_k 80.320 #10BLA/BOU2 delta_h -584.260 #kJ/mol # Enthalpy of formation: -5551.5 #kJ/mol #99SCH/NAV -analytic -2.20378E+1 0E+0 3.0518E+4 0E+0 0E+0 C3FH6 Ca3Fe2(OH)12 = 3.000Ca+2 + 2.000Fe+3 - 12.000H+ + 12.000H2O log_k 72.390 delta_h -509.370 #kJ/mol # Enthalpy of formation: -4647.59 #kJ/mol #10BLA/BOU2 -analytic -1.68477E+1 0E+0 2.66062E+4 0E+0 0E+0 C4AH13 Ca4Al2(OH)14:6H2O = 4.000Ca+2 + 2.000Al+3 - 14.000H+ + 20.000H2O log_k 103.650 #10BLA/BOU2 delta_h -647.400 #kJ/mol # Enthalpy of formation: -8318 #kJ/mol #76HOU/STE -analytic -9.76944E+0 0E+0 3.3816E+4 0E+0 0E+0 C4FH13 Ca4Fe2(OH)14:6H2O = 4.000Ca+2 + 2.000Fe+3 - 14.000H+ + 20.000H2O log_k 95.160 delta_h -569.200 #kJ/mol # Enthalpy of formation: -7417.4 #kJ/mol #10BLA/BOU2 -analytic -4.55941E+0 0E+0 2.97313E+4 0E+0 0E+0 CSH0.8 Ca0.8SiO2.8:1.54H2O = 0.800Ca+2 - 1.600H+ + 1.000H4(SiO4) + 0.340H2O log_k 11.050 #10BLA/BOU1 delta_h -47.646 #kJ/mol # Enthalpy of formation: -1945.13 #kJ/mol #10BLA/BOU1 -analytic 2.70279E+0 0E+0 2.48872E+3 0E+0 0E+0 CSH1.2 Ca1.2SiO3.2:2.06H2O = 1.200Ca+2 - 2.400H+ + 1.000H4(SiO4) + 1.260H2O log_k 19.300 #10BLA/BOU1 delta_h -88.600 #kJ/mol # Enthalpy of formation: -2384.34 #kJ/mol #10BLA/BOU1 -analytic 3.77797E+0 0E+0 4.62789E+3 0E+0 0E+0 CSH1.6 Ca1.6SiO3.6:2.58H2O = 1.600Ca+2 - 3.200H+ + 1.000H4(SiO4) + 2.180H2O log_k 28.000 #10BLA/BOU1 delta_h -133.313 #kJ/mol # Enthalpy of formation: -2819.79 #kJ/mol #10BLA/BOU1 -analytic 4.6446E+0 0E+0 6.96341E+3 0E+0 0E+0 Ca(Adipate)(s) Ca(Adipate) = 1.000Ca+2 + 1.000Adipate-2 log_k -3.300 #12GRI/GAR2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.3E+0 0E+0 0E+0 0E+0 0E+0 Ca(HGlu)2(s) Ca(HGlu)2 = 1.000Ca+2 + 2.000HGlu- log_k -4.190 #99VAN/GLA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.19E+0 0E+0 0E+0 0E+0 0E+0 Ca(HIsa)2(cr) Ca(HIsa)2 = 1.000Ca+2 + 2.000HIsa- log_k -6.400 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6.4E+0 0E+0 0E+0 0E+0 0E+0 Ca(HPO4)(s) Ca(HPO4) = 1.000Ca+2 - 1.000H+ + 1.000H2(PO4)- log_k 0.300 #84NAN delta_h -24.098 #kJ/mol # Enthalpy of formation: -1821.502 #kJ/mol -analytic -3.92178E+0 0E+0 1.25872E+3 0E+0 0E+0 Ca(NO3)2(s) Ca(NO3)2 = 1.000Ca+2 + 2.000NO3- log_k 5.890 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.89E+0 0E+0 0E+0 0E+0 0E+0 Ca(Ox):2H2O(s) Ca(Ox):2H2O = 1.000Ca+2 + 1.000Ox-2 + 2.000H2O log_k -8.300 #05HUM/AND delta_h 25.200 #kJ/mol # Enthalpy of formation: -1970.52 #kJ/mol -analytic -3.88516E+0 0E+0 -1.31629E+3 0E+0 0E+0 Ca(Ox):3H2O(s) Ca(Ox):3H2O = 1.000Ca+2 + 1.000Ox-2 + 3.000H2O log_k -8.190 #05HUM/AND delta_h 29.700 #kJ/mol # Enthalpy of formation: -2260.85 #kJ/mol -analytic -2.98679E+0 0E+0 -1.55134E+3 0E+0 0E+0 Ca(Ox):H2O(s) Ca(Ox):H2O = 1.000Ca+2 + 1.000Ox-2 + 1.000H2O log_k -8.730 #05HUM/AND delta_h 21.500 #kJ/mol # Enthalpy of formation: -1680.99 #kJ/mol -analytic -4.96337E+0 0E+0 -1.12302E+3 0E+0 0E+0 Ca(SO3)(s) Ca(SO3) = 1.000Ca+2 + 1.000SO3-2 log_k -6.500 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6.5E+0 0E+0 0E+0 0E+0 0E+0 Ca(SeO3):H2O(s) Ca(SeO3):H2O = 1.000Ca+2 + 1.000SeO3-2 + 1.000H2O log_k -6.400 #05OLI/NOL delta_h -11.190 #kJ/mol # Enthalpy of formation: -1324.8 #kJ/mol #05OLI/NOL -analytic -8.3604E+0 0E+0 5.84494E+2 0E+0 0E+0 Ca(SeO4):2H2O(s) Ca(SeO4):2H2O = 1.000Ca+2 + 1.000SeO4-2 + 2.000H2O log_k -2.680 #05OLI/NOL delta_h -9.160 #kJ/mol # Enthalpy of formation: -1709 #kJ/mol #05OLI/NOL -analytic -4.28476E+0 0E+0 4.78459E+2 0E+0 0E+0 Ca(s) Ca = 1.000Ca+2 + 1.000H2O - 2.000H+ - 0.500O2 log_k 139.840 delta_h -822.763 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #89COX/WAG -analytic -4.30168E+0 0E+0 4.29758E+4 0E+0 0E+0 Ca2(Pyrophos)(s) Ca2(Pyrophos) = 2.000Ca+2 + 1.000Pyrophos-4 log_k -15.500 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.55E+1 0E+0 0E+0 0E+0 0E+0 Ca2Cl2(OH)2:H2O(s) Ca2Cl2(OH)2:H2O = 2.000Ca+2 - 2.000H+ + 2.000Cl- + 3.000H2O log_k 26.530 #84HAR/MOL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.653E+1 0E+0 0E+0 0E+0 0E+0 Ca2Fe2O5(s) Ca2Fe2O5 = 2.000Ca+2 + 2.000Fe+3 - 10.000H+ + 5.000H2O log_k 56.760 delta_h -473.870 #kJ/mol # Enthalpy of formation: -2138.3 #kJ/mol -analytic -2.62583E+1 0E+0 2.47519E+4 0E+0 0E+0 Ca2ZrSi3O12(cr) Ca2ZrSi3O12 = 2.000Ca+2 - 8.000H+ + 3.000H4(SiO4) + 1.000Zr+4 - 2.000H2O + 1.000O2 log_k -154.250 delta_h 764.444 #kJ/mol # Enthalpy of formation: -6283 #kJ/mol #05BRO/CUR -analytic -2.03254E+1 0E+0 -3.99296E+4 0E+0 0E+0 Ca3(AsO4)2:xH2O Ca3(AsO4)2 = 3.000Ca+2 + 2.000AsO4-3 log_k -21.000 #11GRI/COL4 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0 Ca3(Cit)2:4H2O(s) Ca3(Cit)2:4H2O = 3.000Ca+2 + 2.000Cit-3 + 4.000H2O log_k -17.900 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.79E+1 0E+0 0E+0 0E+0 0E+0 Ca3(PO4)2(alfa) Ca3(PO4)2 = 3.000Ca+2 - 4.000H+ + 2.000H2(PO4)- log_k 10.220 #84NAN delta_h -125.300 #kJ/mol # Enthalpy of formation: -4108.9 #kJ/mol -analytic -1.17316E+1 0E+0 6.54487E+3 0E+0 0E+0 Ca3B2O6(s) Ca3B2O6 = 3.000Ca+2 - 4.000H+ + 2.000B(OH)4- - 2.000H2O log_k 40.580 delta_h -318.306 #kJ/mol # Enthalpy of formation: -3429.266 #kJ/mol -analytic -1.51847E+1 0E+0 1.66263E+4 0E+0 0E+0 Ca3ZrSi2O9(cr) Ca3ZrSi2O9 = 3.000Ca+2 - 10.000H+ + 2.000H4(SiO4) + 1.000Zr+4 + 1.000H2O log_k 47.870 delta_h -416.718 #kJ/mol # Enthalpy of formation: -5029 #kJ/mol #05BRO/CUR -analytic -2.51358E+1 0E+0 2.17667E+4 0E+0 0E+0 Ca4Al2O6(CrO4):15H2O(s) Ca4Al2O6(CrO4):15H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000CrO4-2 + 21.000H2O log_k 71.360 #01PER/PAL delta_h -545.980 #kJ/mol #01PER/PAL # Enthalpy of formation: -9584.25 #kJ/mol -analytic -2.42914E+1 0E+0 2.85185E+4 0E+0 0E+0 Ca4Cl2(OH)6:13H2O(s) Ca4Cl2(OH)6:13H2O = 4.000Ca+2 - 6.000H+ + 2.000Cl- + 19.000H2O log_k 68.730 #84HAR/MOL delta_h -271.930 #kJ/mol # Enthalpy of formation: -7665 #kJ/mol #82WAG/EVA -analytic 2.109E+1 0E+0 1.42039E+4 0E+0 0E+0 Ca4H(PO4)3:2.5H2O(s) Ca4H(PO4)3:2.5H2O = 4.000Ca+2 - 5.000H+ + 3.000H2(PO4)- + 2.500H2O log_k 11.810 #84NAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.181E+1 0E+0 0E+0 0E+0 0E+0 Ca6(Al(OH)6)2(CrO4)3:26H2O(s) Ca6(Al(OH)6)2(CrO4)3:26H2O = 6.000Ca+2 + 2.000Al+3 - 12.000H+ + 3.000CrO4-2 + 38.000H2O log_k 60.280 #00PER/PAL delta_h -509.590 #kJ/mol #00PER/PAL # Enthalpy of formation: -17323.75 #kJ/mol -analytic -2.89962E+1 0E+0 2.66177E+4 0E+0 0E+0 CaB2O4(s) CaB2O4 = 1.000Ca+2 + 2.000B(OH)4- - 4.000H2O log_k -2.180 delta_h -58.908 #kJ/mol # Enthalpy of formation: -2031.004 #kJ/mol -analytic -1.25002E+1 0E+0 3.07697E+3 0E+0 0E+0 CaB4O7(s) CaB4O7 = 1.000Ca+2 + 2.000H+ + 4.000B(OH)4- - 9.000H2O log_k -23.440 delta_h 9.373 #kJ/mol # Enthalpy of formation: -3360.367 #kJ/mol -analytic -2.17979E+1 0E+0 -4.89585E+2 0E+0 0E+0 CaCO3:H2O(s) CaCO3:H2O = 1.000Ca+2 + 1.000CO3-2 + 1.000H2O log_k -7.600 #73HUL/TUR delta_h -5.770 #kJ/mol # Enthalpy of formation: -1498.29 #kJ/mol #73HUL/TUR -analytic -8.61086E+0 0E+0 3.01388E+2 0E+0 0E+0 CaCl2:2H2O(cr) CaCl2:2H2O = 1.000Ca+2 + 2.000Cl- + 2.000H2O log_k 7.950 delta_h -44.790 #kJ/mol # Enthalpy of formation: -1404.03 #kJ/mol #87GAR/PAR -analytic 1.0314E-1 0E+0 2.33954E+3 0E+0 0E+0 CaCl2:4H2O(cr) CaCl2:4H2O = 1.000Ca+2 + 2.000Cl- + 4.000H2O log_k 5.350 delta_h -11.310 #kJ/mol # Enthalpy of formation: -2009.17 #kJ/mol #87GAR/PAR -analytic 3.36858E+0 0E+0 5.90762E+2 0E+0 0E+0 CaCl2:H2O(s) CaCl2:H2O = 1.000Ca+2 + 2.000Cl- + 1.000H2O log_k 7.850 delta_h -52.160 #kJ/mol # Enthalpy of formation: -1110.83 #kJ/mol #87GAR/PAR -analytic -1.28803E+0 0E+0 2.7245E+3 0E+0 0E+0 CaCrO4(s) CaCrO4 = 1.000Ca+2 + 1.000CrO4-2 log_k -3.150 #03DEA delta_h -22.814 #kJ/mol # Enthalpy of formation: -1399.186 #kJ/mol -analytic -7.14684E+0 0E+0 1.19166E+3 0E+0 0E+0 CaF2:6H2O(s) CaF2:6H2O = 1.000Ca+2 + 2.000F- + 6.000H2O log_k -5.480 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -5.48E+0 0E+0 0E+0 0E+0 0E+0 CaFe2O4(s) CaFe2O4 = 1.000Ca+2 + 2.000Fe+3 - 8.000H+ + 4.000H2O log_k 21.240 #79ROB delta_h -263.980 #kJ/mol # Enthalpy of formation: -1520.34 #kJ/mol -analytic -2.50072E+1 0E+0 1.37886E+4 0E+0 0E+0 CaI2(s) CaI2 = 1.000Ca+2 + 2.000I- log_k 22.500 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.25E+1 0E+0 0E+0 0E+0 0E+0 CaMg3(CO3)4(s) CaMg3(CO3)4 = 1.000Ca+2 + 3.000Mg+2 + 4.000CO3-2 log_k -30.810 # delta_h -112.340 #kJ/mol # Enthalpy of formation: -4532.58 #kJ/mol #73HEM/ROB -analytic -5.04911E+1 0E+0 5.86792E+3 0E+0 0E+0 CaMoO4(s) CaMoO4 = 1.000Ca+2 + 1.000MoO4-2 log_k -7.900 delta_h 1.424 #kJ/mol # Enthalpy of formation: -1541.424 #kJ/mol -analytic -7.65053E+0 0E+0 -7.43806E+1 0E+0 0E+0 CaO(cr) CaO = 1.000Ca+2 - 2.000H+ + 1.000H2O log_k 32.700 delta_h -193.910 #kJ/mol # Enthalpy of formation: -634.92 #kJ/mol #89COX/WAG -analytic -1.27152E+0 0E+0 1.01286E+4 0E+0 0E+0 CaSn(OH)6(s) CaSn(OH)6 = 1.000Ca+2 + 1.000Sn+4 - 6.000H+ + 6.000H2O log_k -0.740 #Log K¿ estimated as the mean value of data in 00LOT/OCH2 (uncertainty to include both values) recalculated using values of Sn(OH)6-2 selected in this work # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -7.4E-1 0E+0 0E+0 0E+0 0E+0 CaU2O7:3H2O(cr) CaU2O7:3H2O = 1.000Ca+2 + 2.000UO2+2 - 6.000H+ + 6.000H2O log_k 23.400 #05ALT/NEC # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.34E+1 0E+0 0E+0 0E+0 0E+0 Cadmoselite CdSe = 1.000Cd+2 - 1.000H+ + 1.000HSe- log_k -18.680 delta_h 81.480 #kJ/mol # Enthalpy of formation: -143.1 #kJ/mol #05OLI/NOL -analytic -4.40534E+0 0E+0 -4.25599E+3 0E+0 0E+0 Calcite CaCO3 = 1.000Ca+2 + 1.000CO3-2 log_k -8.480 #82PLUM/BUS delta_h -10.620 #kJ/mol #82PLUM/BUS # Enthalpy of formation: -1207.61 #kJ/mol -analytic -1.03405E+1 0E+0 5.5472E+2 0E+0 0E+0 Carnallite KMgCl3:6H2O = 1.000Mg+2 + 1.000K+ + 3.000Cl- + 6.000H2O log_k 4.330 #84HAR/MOL delta_h 9.339 #kJ/mol # Enthalpy of formation: -2944.699 #kJ/mol #74NAU/RYZ -analytic 5.96612E+0 0E+0 -4.87809E+2 0E+0 0E+0 Cassiterite SnO2 = 1.000Sn+4 - 4.000H+ + 2.000H2O log_k -15.600 delta_h -25.529 #kJ/mol # Enthalpy of formation: -577.63 #kJ/mol #12GAM/GAJ -analytic -2.00725E+1 0E+0 1.33347E+3 0E+0 0E+0 Cattierite CoS2 = 1.000Co+2 + 2.000HS- - 1.000H2O + 0.500O2 log_k -62.970 delta_h 340.463 #kJ/mol # Enthalpy of formation: -150.9 #kJ/mol #95ROB/HEM -analytic -3.32353E+0 0E+0 -1.77836E+4 0E+0 0E+0 Cd(CO3)(s) Cd(CO3) = 1.000Cd+2 + 1.000CO3-2 log_k -12.100 #91RAI/FEL1 delta_h 1.482 #kJ/mol # Enthalpy of formation: -752.632 #kJ/mol -analytic -1.18404E+1 0E+0 -7.74101E+1 0E+0 0E+0 Cd(OH)2(s) Cd(OH)2 = 1.000Cd+2 - 2.000H+ + 2.000H2O log_k 13.860 #91RAI/FEL1 delta_h -87.730 #kJ/mol # Enthalpy of formation: -559.85 #kJ/mol -analytic -1.50961E+0 0E+0 4.58245E+3 0E+0 0E+0 Cd(SO4)(cr) Cd(SO4) = 1.000Cd+2 + 1.000SO4-2 log_k -0.160 delta_h -51.980 #kJ/mol # Enthalpy of formation: -933.28 #kJ/mol #82WAG/EVA -analytic -9.26649E+0 0E+0 2.7151E+3 0E+0 0E+0 Cd(SO4):2.67H2O(cr) Cd(SO4):2.67H2O = 1.000Cd+2 + 1.000SO4-2 + 2.670H2O log_k -1.550 delta_h -20.126 #kJ/mol # Enthalpy of formation: -1728.3 #kJ/mol #89COX/WAG -analytic -5.07592E+0 0E+0 1.05125E+3 0E+0 0E+0 Cd(SeCn)2(cr) Cd(SeCn)2 = 1.000Cd+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 log_k -117.730 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.1773E+2 0E+0 0E+0 0E+0 0E+0 Cd(cr) Cd = 1.000Cd+2 + 1.000H2O - 2.000H+ - 0.500O2 log_k 56.610 delta_h -355.683 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #89COX/WAG -analytic -5.7029E+0 0E+0 1.85786E+4 0E+0 0E+0 Cd3(AsO4)2(s) Cd3(AsO4)2 = 3.000Cd+2 + 2.000AsO4-3 log_k -32.620 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.262E+1 0E+0 0E+0 0E+0 0E+0 Cd3(PO4)2(s) Cd3(PO4)2 = 3.000Cd+2 - 4.000H+ + 2.000H2(PO4)- log_k 8.970 delta_h -206.960 #kJ/mol # Enthalpy of formation: -2626 #kJ/mol #01BEN/JEM -analytic -2.72878E+1 0E+0 1.08103E+4 0E+0 0E+0 Cd5(PO4)3Cl(cr) Cd5(PO4)3Cl = 5.000Cd+2 - 6.000H+ + 1.000Cl- + 3.000H2(PO4)- log_k 12.670 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.267E+1 0E+0 0E+0 0E+0 0E+0 Cd5(PO4)3OH(cr) Cd5(PO4)3OH = 5.000Cd+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O log_k 19.840 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.984E+1 0E+0 0E+0 0E+0 0E+0 CdB2O4(s) CdB2O4 = 1.000Cd+2 + 2.000B(OH)4- - 4.000H2O log_k -8.640 #91BAL/NOR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -8.64E+0 0E+0 0E+0 0E+0 0E+0 CdCl2(s) CdCl2 = 1.000Cd+2 + 2.000Cl- log_k -0.660 delta_h -18.580 #kJ/mol # Enthalpy of formation: -391.5 #kJ/mol #74NAU/RYZ -analytic -3.91507E+0 0E+0 9.705E+2 0E+0 0E+0 CdCl2:2.5H2O(s) CdCl2:2.5H2O = 1.000Cd+2 + 2.000Cl- + 2.500H2O log_k -1.900 delta_h 7.285 #kJ/mol # Enthalpy of formation: -1131.94 #kJ/mol #82WAG/EVA -analytic -6.23725E-1 0E+0 -3.80521E+2 0E+0 0E+0 CdCl2:H2O(cr) CdCl2:H2O = 1.000Cd+2 + 2.000Cl- + 1.000H2O log_k -1.690 delta_h -7.470 #kJ/mol # Enthalpy of formation: -688.44 #kJ/mol #82WAG/EVA -analytic -2.99869E+0 0E+0 3.90185E+2 0E+0 0E+0 CdO(s) CdO = 1.000Cd+2 - 2.000H+ + 1.000H2O log_k 15.100 delta_h -103.400 #kJ/mol # Enthalpy of formation: -258.35 #kJ/mol #89COX/WAG -analytic -3.01488E+0 0E+0 5.40095E+3 0E+0 0E+0 CdS(s) CdS = 1.000Cd+2 - 1.000H+ + 1.000HS- log_k -14.820 #99WAN/TES delta_h 56.570 #kJ/mol # Enthalpy of formation: -148.79 #kJ/mol #06DEO/NAV -analytic -4.90938E+0 0E+0 -2.95485E+3 0E+0 0E+0 CdSiO3(cr) CdSiO3 = 1.000Cd+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O log_k 7.790 delta_h -62.194 #kJ/mol # Enthalpy of formation: -1189.09 #kJ/mol #77BAR/KNA -analytic -3.10591E+0 0E+0 3.24861E+3 0E+0 0E+0 Celadonite-Fe KFeAlSi4O10(OH)2 = 1.000K+ + 1.000Fe+2 + 1.000Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O log_k 10.220 delta_h -103.866 #kJ/mol # Enthalpy of formation: -5478.13 #kJ/mol #02 -analytic -7.97652E+0 0E+0 5.42529E+3 0E+0 0E+0 Celadonite-Mg KMgAlSi4O10(OH)2 = 1.000Mg+2 + 1.000K+ + 1.000Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O log_k 10.220 delta_h -124.256 #kJ/mol # Enthalpy of formation: -5834.74 #kJ/mol #02PAR/VID -analytic -1.15487E+1 0E+0 6.49033E+3 0E+0 0E+0 Celestite Sr(SO4) = 1.000Sr+2 + 1.000SO4-2 log_k -6.620 #06BLA/IGN delta_h -2.451 #kJ/mol # Enthalpy of formation: -1457.788 #kJ/mol -analytic -7.0494E+0 0E+0 1.28024E+2 0E+0 0E+0 Cerussite Pb(CO3) = 1.000Pb+2 + 1.000CO3-2 log_k -13.290 delta_h 27.414 #kJ/mol # Enthalpy of formation: -701.723 #kJ/mol -analytic -8.48728E+0 0E+0 -1.43193E+3 0E+0 0E+0 Chabazite CaAl2Si4O12:6H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 4.000H4(SiO4) + 2.000H2O log_k 11.540 delta_h -209.796 #kJ/mol # Enthalpy of formation: -7826.44 #kJ/mol #09BLA -analytic -2.52146E+1 0E+0 1.09584E+4 0E+0 0E+0 Chamosite Fe5Al2Si3O10(OH)8 = 5.000Fe+2 + 2.000Al+3 - 16.000H+ + 3.000H4(SiO4) + 6.000H2O log_k 47.600 delta_h -504.512 #kJ/mol # Enthalpy of formation: -7120.85 #kJ/mol #05VID/PAR -analytic -4.07866E+1 0E+0 2.63525E+4 0E+0 0E+0 Chloroapatite Ca5Cl(PO4)3 = 5.000Ca+2 - 6.000H+ + 1.000Cl- + 3.000H2(PO4)- log_k 5.210 #68VAL/KOG delta_h -132.541 #kJ/mol # Enthalpy of formation: -6657.339 #kJ/mol -analytic -1.80102E+1 0E+0 6.92309E+3 0E+0 0E+0 Chromite FeCr2O4 = 1.000Fe+2 - 8.000H+ + 2.000Cr+3 + 4.000H2O log_k 15.120 delta_h -268.820 #kJ/mol # Enthalpy of formation: -1445.5 #kJ/mol #95ROB/HEM -analytic -3.19752E+1 0E+0 1.40414E+4 0E+0 0E+0 Clarkeite Na(UO2)O(OH) = 1.000Na+ + 1.000UO2+2 - 3.000H+ + 2.000H2O log_k 9.400 #08GOR/FEI delta_h -106.300 #kJ/mol # Enthalpy of formation: -1724.7 #kJ/mol #06KUB/HEL -analytic -9.22293E+0 0E+0 5.55243E+3 0E+0 0E+0 Claudetite As2O3 = - 3.000H2O + 2.000H3(AsO3) log_k -1.460 delta_h 28.240 #kJ/mol # Enthalpy of formation: -655.15 #kJ/mol -analytic 3.48743E+0 0E+0 -1.47508E+3 0E+0 0E+0 Clausthalite PbSe = 1.000Pb+2 - 1.000H+ + 1.000HSe- log_k -20.530 delta_h 113.720 #kJ/mol # Enthalpy of formation: -98.5 #kJ/mol #05OLI/NOL -analytic -6.0714E-1 0E+0 -5.94E+3 0E+0 0E+0 Clinochlore Mg5Al2Si3O10(OH)8 = 5.000Mg+2 + 2.000Al+3 - 16.000H+ + 3.000H4(SiO4) + 6.000H2O log_k 61.720 delta_h -600.772 #kJ/mol # Enthalpy of formation: -8909.59 #kJ/mol #05VID/PAR -analytic -4.35306E+1 0E+0 3.13805E+4 0E+0 0E+0 Clinoptilolite_Ca Ca0.55(Si4.9Al1.1)O12:3.9H2O = 0.550Ca+2 + 1.100Al+3 - 4.400H+ + 4.900H4(SiO4) - 3.700H2O log_k -2.350 #09BLA delta_h -68.512 #kJ/mol # Enthalpy of formation: -6924.658 #kJ/mol -analytic -1.43528E+1 0E+0 3.57863E+3 0E+0 0E+0 Clinoptilolite_K K1.1(Si4.9Al1.1)O12:2.7H2O = 1.100K+ + 1.100Al+3 - 4.400H+ + 4.900H4(SiO4) - 4.900H2O log_k -1.230 #09BLA delta_h -60.128 #kJ/mol # Enthalpy of formation: -6568.749 #kJ/mol -analytic -1.1764E+1 0E+0 3.1407E+3 0E+0 0E+0 Clinoptilolite_Na Na1.1(Si4.9Al1.1)O12:3.5H2O = 1.100Na+ + 1.100Al+3 - 4.400H+ + 4.900H4(SiO4) - 4.100H2O log_k -0.090 #09BLA delta_h -62.470 #kJ/mol # Enthalpy of formation: -6782.091 #kJ/mol -analytic -1.10343E+1 0E+0 3.26303E+3 0E+0 0E+0 Cm(CO3)(OH)(cr) Cm(CO3)(OH) = - 1.000H+ + 1.000CO3-2 + 1.000Cm+3 + 1.000H2O log_k -10.340 #estimated by correlation with Ln(III) and An(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.034E+1 0E+0 0E+0 0E+0 0E+0 Cm(CO3)(OH):0.5H2O(s) Cm(CO3)(OH):0.5H2O = - 1.000H+ + 1.000CO3-2 + 1.000Cm+3 + 1.500H2O log_k -7.780 #estimated by correlation with Ln(III) and An(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -7.78E+0 0E+0 0E+0 0E+0 0E+0 Cm(OH)3(am) Cm(OH)3 = - 3.000H+ + 1.000Cm+3 + 3.000H2O log_k 17.900 #estimated from ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.79E+1 0E+0 0E+0 0E+0 0E+0 Cm(OH)3(cr) Cm(OH)3 = - 3.000H+ + 1.000Cm+3 + 3.000H2O log_k 15.600 #estimated from ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.56E+1 0E+0 0E+0 0E+0 0E+0 Cm(PO4):xH2O(s) Cm(PO4) = - 2.000H+ + 1.000H2(PO4)- + 1.000Cm+3 log_k -4.970 #estimated by correlation with Ln(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.97E+0 0E+0 0E+0 0E+0 0E+0 Cm(cr) Cm = 1.000Cm+3 + 1.500H2O - 3.000H+ - 0.750O2 log_k 168.795 #01KON2 delta_h -1034.645 #kJ/mol # Enthalpy of formation: 0 #kJ/mol -analytic -1.24667E+1 0E+0 5.40432E+4 0E+0 0E+0 Cm2(CO3)3(am) Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3 log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0 Cm2O3(cr) Cm2O3 = - 6.000H+ + 2.000Cm+3 + 3.000H2O log_k 53.100 delta_h -403.490 #kJ/mol # Enthalpy of formation: -1684 #kJ/mol #01KON2 -analytic -1.75883E+1 0E+0 2.10757E+4 0E+0 0E+0 CmCl3(cr) CmCl3 = 3.000Cl- + 1.000Cm+3 log_k 15.070 delta_h -141.840 #kJ/mol # Enthalpy of formation: -974.4 #kJ/mol #85BAR/PAR -analytic -9.77926E+0 0E+0 7.40881E+3 0E+0 0E+0 CmF3(cr) CmF3 = 3.000F- + 1.000Cm+3 log_k -13.160 delta_h -32.036 #kJ/mol # Enthalpy of formation: -1589.014 #kJ/mol #estimated by 97SVE/SHO equation -analytic -1.87725E+1 0E+0 1.67335E+3 0E+0 0E+0 CmOCl(cr) CmOCl = - 2.000H+ + 1.000Cl- + 1.000Cm+3 + 1.000H2O log_k 9.490 delta_h -104.710 #kJ/mol # Enthalpy of formation: -963.2 #kJ/mol #85BAR/PAR -analytic -8.85438E+0 0E+0 5.46938E+3 0E+0 0E+0 CmOHCO3(am) CmOHCO3 = - 1.000H+ + 1.000CO3-2 + 1.000Cm+3 + 1.000H2O log_k -6.120 #estimated in anlogy with Ln(III) and Am(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6.12E+0 0E+0 0E+0 0E+0 0E+0 Co(FeO2)2(alpha) Co(FeO2)2 = 2.000Fe+3 + 1.000Co+2 - 8.000H+ + 4.000H2O log_k 0.770 delta_h -159.200 #kJ/mol # Enthalpy of formation: -1139.72 #kJ/mol #74NAU/RYZ -analytic -2.71206E+1 0E+0 8.31558E+3 0E+0 0E+0 Co(OH)2(s,blue) Co(OH)2 = 1.000Co+2 - 2.000H+ + 2.000H2O log_k 13.800 #98PLY/ZHA1 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0 Co(OH)2(s,rose1) Co(OH)2 = 1.000Co+2 - 2.000H+ + 2.000H2O log_k 12.200 #98PLY/ZHA1 delta_h -88.460 #kJ/mol # Enthalpy of formation: -540.8 #kJ/mol #98PLY/ZHA1 -analytic -3.2975E+0 0E+0 4.62058E+3 0E+0 0E+0 Co(OH)2(s,rose2) Co(OH)2 = 1.000Co+2 - 2.000H+ + 2.000H2O log_k 13.200 #98PLY/ZHA1 delta_h -93.560 #kJ/mol # Enthalpy of formation: -535.7 #kJ/mol #98PLY/ZHA1 -analytic -3.19098E+0 0E+0 4.88697E+3 0E+0 0E+0 Co(SeO3):2H2O(s) Co(SeO3):2H2O = 1.000Co+2 + 1.000SeO3-2 + 2.000H2O log_k -7.900 #05OLI/NOL delta_h -20.860 #kJ/mol # Enthalpy of formation: -1115.56 #kJ/mol #05OLI/NOL -analytic -1.15545E+1 0E+0 1.08959E+3 0E+0 0E+0 Co(SeO4):6H2O(s) Co(SeO4):6H2O = 1.000Co+2 + 1.000SeO4-2 + 6.000H2O log_k -1.760 #05OLI/NOL delta_h -3.299 #kJ/mol # Enthalpy of formation: -2372.781 #kJ/mol -analytic -2.33796E+0 0E+0 1.72319E+2 0E+0 0E+0 Co(cr) Co = 1.000Co+2 + 1.000H2O - 2.000H+ - 0.500O2 log_k 52.730 delta_h -337.363 #kJ/mol # Enthalpy of formation: 0 #kJ/mol -analytic -6.37337E+0 0E+0 1.76217E+4 0E+0 0E+0 Co0.84Se(cr) Co0.84Se = 0.840Co+2 - 0.680H+ + 1.000HSe- - 0.160H2O + 0.080O2 log_k -16.178 delta_h 66.078 #kJ/mol # Enthalpy of formation: -55.4 #kJ/mol #05OLI/NOL -analytic -4.60203E+0 0E+0 -3.45149E+3 0E+0 0E+0 Co2SiO4(s) Co2SiO4 = 2.000Co+2 - 4.000H+ + 1.000H4(SiO4) log_k 7.350 delta_h -99.394 #kJ/mol # Enthalpy of formation: -1477 #kJ/mol #82WAG/EVA -analytic -1.00631E+1 0E+0 5.1917E+3 0E+0 0E+0 Co3(AsO4)2(s) Co3(AsO4)2 = 3.000Co+2 + 2.000AsO4-3 log_k -27.560 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.756E+1 0E+0 0E+0 0E+0 0E+0 Co3(PO4)2(s) Co3(PO4)2 = 3.000Co+2 - 4.000H+ + 2.000H2(PO4)- log_k 4.360 #84VIE/TAR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.36E+0 0E+0 0E+0 0E+0 0E+0 Co3O4(s) Co3O4 = 3.000Co+2 - 6.000H+ + 3.000H2O + 0.500O2 log_k 11.870 delta_h -117.537 #kJ/mol # Enthalpy of formation: -918.8 #kJ/mol #95ROB/HEM -analytic -8.72157E+0 0E+0 6.13938E+3 0E+0 0E+0 CoCl2(s) CoCl2 = 1.000Co+2 + 2.000Cl- log_k 8.470 delta_h -79.220 #kJ/mol # Enthalpy of formation: -312.54 #kJ/mol #98CHA -analytic -5.40873E+0 0E+0 4.13794E+3 0E+0 0E+0 CoCl2:6H2O(s) CoCl2:6H2O = 1.000Co+2 + 2.000Cl- + 6.000H2O log_k 2.540 #97MAR/SMI delta_h 8.060 #kJ/mol #97MAR/SMI # Enthalpy of formation: -2114.8 #kJ/mol -analytic 3.95205E+0 0E+0 -4.21003E+2 0E+0 0E+0 CoF2(s) CoF2 = 1.000Co+2 + 2.000F- log_k -1.390 delta_h -56.770 #kJ/mol # Enthalpy of formation: -671.53 #kJ/mol #98CHA -analytic -1.13357E+1 0E+0 2.9653E+3 0E+0 0E+0 CoHPO4(s) CoHPO4 = 1.000Co+2 - 1.000H+ + 1.000H2(PO4)- log_k 0.490 #84VIE/TAR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.9E-1 0E+0 0E+0 0E+0 0E+0 CoO(s) CoO = 1.000Co+2 - 2.000H+ + 1.000H2O log_k 13.770 delta_h -105.530 #kJ/mol # Enthalpy of formation: -237.9 #kJ/mol #95ROB/HEM -analytic -4.71804E+0 0E+0 5.51221E+3 0E+0 0E+0 CoS(alpha) CoS = 1.000Co+2 - 1.000H+ + 1.000HS- log_k -7.440 #90DYR/KRE delta_h 11.836 #kJ/mol # Enthalpy of formation: -85.736 #kJ/mol -analytic -5.36642E+0 0E+0 -6.18236E+2 0E+0 0E+0 CoS(beta) CoS = 1.000Co+2 - 1.000H+ + 1.000HS- log_k -11.070 #90DYR/KRE # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.107E+1 0E+0 0E+0 0E+0 0E+0 CoSO4(s) CoSO4 = 1.000Co+2 + 1.000SO4-2 log_k 3.010 delta_h -78.680 #kJ/mol # Enthalpy of formation: -888.26 #kJ/mol #98CHA -analytic -1.07741E+1 0E+0 4.10974E+3 0E+0 0E+0 CoSO4:6H2O(s) CoSO4:6H2O = 1.000Co+2 + 1.000SO4-2 + 6.000H2O log_k -2.200 delta_h 1.570 #kJ/mol # Enthalpy of formation: -2683.49 #kJ/mol #74NAU/RYZ -analytic -1.92495E+0 0E+0 -8.20067E+1 0E+0 0E+0 CoSO4:H2O(s) CoSO4:H2O = 1.000Co+2 + 1.000SO4-2 + 1.000H2O log_k -1.050 delta_h -52.050 #kJ/mol # Enthalpy of formation: -1200.72 #kJ/mol #74NAU/RYZ -analytic -1.01688E+1 0E+0 2.71876E+3 0E+0 0E+0 CoSe2(cr) CoSe2 = 1.000Co+2 + 2.000HSe- - 1.000H2O + 0.500O2 log_k -66.080 delta_h 356.263 #kJ/mol # Enthalpy of formation: -105.5 #kJ/mol #05OLI/NOL -analytic -3.66549E+0 0E+0 -1.86089E+4 0E+0 0E+0 Coffinite U(SiO4) = 1.000U+4 - 4.000H+ + 1.000H4(SiO4) log_k -7.800 delta_h -61.070 #kJ/mol # Enthalpy of formation: -1991.326 #kJ/mol -analytic -1.8499E+1 0E+0 3.1899E+3 0E+0 0E+0 Coffinite(am) U(SiO4) = 1.000U+4 - 4.000H+ + 1.000H4(SiO4) log_k -1.500 #Estimation based on NEA Guidelines # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0 Compreignacite K2(UO2)6O4(OH)6:7H2O = 2.000K+ + 6.000UO2+2 - 14.000H+ + 17.000H2O log_k 35.800 #08GOR/FEI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.58E+1 0E+0 0E+0 0E+0 0E+0 Corundum Al2O3 = 2.000Al+3 - 6.000H+ + 3.000H2O log_k 18.300 delta_h -258.590 #kJ/mol # Enthalpy of formation: -1675.7 #kJ/mol #89COX/WAG -analytic -2.7003E+1 0E+0 1.35071E+4 0E+0 0E+0 Cotunnite PbCl2 = 1.000Pb+2 + 2.000Cl- log_k -4.810 delta_h 26.160 #kJ/mol # Enthalpy of formation: -359.4 #kJ/mol #98CHA -analytic -2.26971E-1 0E+0 -1.36643E+3 0E+0 0E+0 Cr(OH)2(H2PO4)(s) Cr(OH)2(H2PO4) = 1.000H2(PO4)- + 1.000Cr+3 + 2.000H2O - 2.000H+ log_k 0.890 #04RAI/MOO delta_h -5.080 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.3509E-5 0E+0 2.65346E+2 0E+0 0E+0 Cr(OH)2(cr) Cr(OH)2 = - 2.000H+ + 1.000Cr+2 + 2.000H2O log_k 11.000 #41HUM/STO, 04CHI delta_h -75.459 #kJ/mol # Enthalpy of formation: -653.82 #kJ/mol -analytic -2.21983E+0 0E+0 3.94149E+3 0E+0 0E+0 Cr(OH)3(cr) Cr(OH)3 = - 3.000H+ + 1.000Cr+3 + 3.000H2O log_k 7.500 #04RAI/MOO delta_h -104.751 #kJ/mol # Enthalpy of formation: -993.238 #kJ/mol -analytic -1.08516E+1 0E+0 5.47152E+3 0E+0 0E+0 Cr(s) Cr = 2.000H+ + 1.000CrO4-2 - 1.000H2O - 1.500O2 log_k 89.660 delta_h -574.989 #kJ/mol # Enthalpy of formation: 0 #kJ/mol -analytic -1.10736E+1 0E+0 3.00337E+4 0E+0 0E+0 Cr2(SO4)3(s) Cr2(SO4)3 = 3.000SO4-2 + 2.000Cr+3 log_k 4.380 delta_h -277.720 #kJ/mol # Enthalpy of formation: -2931.3 #kJ/mol #91KNA/KUB -analytic -4.42744E+1 0E+0 1.45063E+4 0E+0 0E+0 Cr2O3(cr) Cr2O3 = - 6.000H+ + 2.000Cr+3 + 3.000H2O log_k 7.750 delta_h -198.000 #kJ/mol # Enthalpy of formation: -1140.5 #kJ/mol #04CHI -analytic -2.69381E+1 0E+0 1.03422E+4 0E+0 0E+0 Cr2S3(s) Cr2S3 = - 3.000H+ + 3.000HS- + 2.000Cr+3 log_k 3.260 delta_h -195.200 #kJ/mol # Enthalpy of formation: -334.7 #kJ/mol #84PAN -analytic -3.09375E+1 0E+0 1.0196E+4 0E+0 0E+0 CrCl2(cr) CrCl2 = 2.000Cl- + 1.000Cr+2 log_k 12.730 delta_h -103.500 #kJ/mol # Enthalpy of formation: -388.3 #kJ/mol #98BAL/NOR -analytic -5.4024E+0 0E+0 5.40617E+3 0E+0 0E+0 CrCl3(cr) CrCl3 = 3.000Cl- + 1.000Cr+3 log_k 20.190 delta_h -197.300 #kJ/mol # Enthalpy of formation: -544.4 #kJ/mol #98BAL/NOR -analytic -1.43754E+1 0E+0 1.03057E+4 0E+0 0E+0 CrO2(cr) CrO2 = 2.000H+ + 1.000CrO4-2 - 1.000H2O - 0.500O2 log_k -8.690 delta_h 10.797 #kJ/mol # Enthalpy of formation: -597.9 #kJ/mol #93BAR, 04CHI -analytic -6.79845E+0 0E+0 -5.63966E+2 0E+0 0E+0 CrO3(cr) CrO3 = 2.000H+ + 1.000CrO4-2 - 1.000H2O log_k -3.020 delta_h -10.070 #kJ/mol # Enthalpy of formation: -583.1 #kJ/mol #98BAL/NOR, 04CHI -analytic -4.78419E+0 0E+0 5.25992E+2 0E+0 0E+0 CrPO4(green) CrPO4 = - 2.000H+ + 1.000H2(PO4)- + 1.000Cr+3 log_k -3.060 #51ZHA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.06E+0 0E+0 0E+0 0E+0 0E+0 CrPO4(purple) CrPO4 = - 2.000H+ + 1.000H2(PO4)- + 1.000Cr+3 log_k 2.560 #51ZHA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.56E+0 0E+0 0E+0 0E+0 0E+0 CrS(s) CrS = - 1.000H+ + 1.000HS- + 1.000Cr+2 log_k 1.660 delta_h -38.800 #kJ/mol # Enthalpy of formation: -135.143 #kJ/mol #84PAN -analytic -5.13746E+0 0E+0 2.02666E+3 0E+0 0E+0 Cristobalite SiO2 = 1.000H4(SiO4) - 2.000H2O log_k -3.160 delta_h 16.500 #kJ/mol # Enthalpy of formation: -906.034 #kJ/mol #04FAB/SAX -analytic -2.69328E-1 0E+0 -8.61854E+2 0E+0 0E+0 Crocoite PbCrO4 = 1.000Pb+2 + 1.000CrO4-2 log_k -12.550 #42KOL/PER delta_h 48.940 #kJ/mol # Enthalpy of formation: -927.02 #kJ/mol #75DEL/MCC -analytic -3.97609E+0 0E+0 -2.55631E+3 0E+0 0E+0 Cronstedtite-Th Fe4SiO5(OH)4 = 2.000Fe+3 + 2.000Fe+2 - 10.000H+ + 1.000H4(SiO4) + 5.000H2O log_k 16.110 delta_h -253.794 #kJ/mol # Enthalpy of formation: -2914.55 #kJ/mol #15BLA/VIE -analytic -2.83527E+1 0E+0 1.32566E+4 0E+0 0E+0 Cs(s) Cs = 1.000Cs+ + 0.500H2O - 1.000H+ - 0.250O2 log_k 72.555 delta_h -397.882 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG -analytic 2.84926E+0 0E+0 2.07828E+4 0E+0 0E+0 Cs2(CO3)(s) Cs2(CO3) = 2.000Cs+ + 1.000CO3-2 log_k 9.900 delta_h -55.348 #kJ/mol # Enthalpy of formation: -1135.882 #kJ/mol -analytic 2.03461E-1 0E+0 2.89102E+3 0E+0 0E+0 Cs2(SO4)(s) Cs2(SO4) = 2.000Cs+ + 1.000SO4-2 log_k 0.580 delta_h 17.756 #kJ/mol # Enthalpy of formation: -1443.096 #kJ/mol -analytic 3.69071E+0 0E+0 -9.27459E+2 0E+0 0E+0 Cs2MoO4(s) Cs2MoO4 = 2.000Cs+ + 1.000MoO4-2 log_k 2.210 delta_h 1.581 #kJ/mol # Enthalpy of formation: -1514.581 #kJ/mol -analytic 2.48698E+0 0E+0 -8.25813E+1 0E+0 0E+0 Cs2O(s) Cs2O = 2.000Cs+ - 2.000H+ + 1.000H2O log_k 89.680 delta_h -456.100 #kJ/mol # Enthalpy of formation: -345.73 #kJ/mol -analytic 9.77483E+0 0E+0 2.38237E+4 0E+0 0E+0 CsBr(cr) CsBr = 1.000Cs+ + 1.000Br- log_k 0.720 delta_h 26.190 #kJ/mol # Enthalpy of formation: -405.6 #kJ/mol #01LEM/FUG -analytic 5.30828E+0 0E+0 -1.368E+3 0E+0 0E+0 CsCl(cr) CsCl = 1.000Cs+ + 1.000Cl- log_k 1.550 delta_h 17.230 #kJ/mol # Enthalpy of formation: -442.31 #kJ/mol #01LEM/FUG -analytic 4.56856E+0 0E+0 -8.99984E+2 0E+0 0E+0 Cu(SeO3):2H2O(s) Cu(SeO3):2H2O = 1.000Cu+2 + 1.000SeO3-2 + 2.000H2O log_k -9.500 #Average value from 56CHU2 and 93SLA/POP in 05OLI/NOL delta_h -15.320 #kJ/mol # Enthalpy of formation: -998.6 #kJ/mol #05OLI/NOL -analytic -1.21839E+1 0E+0 8.00218E+2 0E+0 0E+0 Cu(SeO4):5H2O(s) Cu(SeO4):5H2O = 1.000Cu+2 + 1.000SeO4-2 + 5.000H2O log_k -2.440 #05OLI/NOL delta_h 5.580 #kJ/mol # Enthalpy of formation: -1973.33 #kJ/mol #05OLI/NOL -analytic -1.46243E+0 0E+0 -2.91463E+2 0E+0 0E+0 Cu(cr) Cu = 1.000Cu+2 + 1.000H2O - 2.000H+ - 0.500O2 log_k 31.600 delta_h -214.863 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #01LEM/FUG -analytic -6.04233E+0 0E+0 1.12231E+4 0E+0 0E+0 Cu2Se(alfa) Cu2Se = 2.000Cu+ - 1.000H+ + 1.000HSe- log_k -45.890 #01SEB/POT2 delta_h 216.940 #kJ/mol # Enthalpy of formation: -59.3 #kJ/mol #05OLI/NOL -analytic -7.8838E+0 0E+0 -1.13315E+4 0E+0 0E+0 Cu3(AsO4)2(s) Cu3(AsO4)2 = 3.000Cu+2 + 2.000AsO4-3 log_k -34.880 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.488E+1 0E+0 0E+0 0E+0 0E+0 CuSe(alfa) CuSe = 1.000Cu+2 - 1.000H+ + 1.000HSe- log_k -25.460 delta_h 118.700 #kJ/mol # Enthalpy of formation: -39.5 #kJ/mol #05OLI/NOL -analytic -4.66468E+0 0E+0 -6.20012E+3 0E+0 0E+0 CuSe(beta) CuSe = 1.000Cu+2 - 1.000H+ + 1.000HSe- log_k -25.130 delta_h 116.000 #kJ/mol # Enthalpy of formation: -36.8 #kJ/mol #05OLI/NOL -analytic -4.8077E+0 0E+0 -6.05909E+3 0E+0 0E+0 Dawsonite NaAl(CO3)(OH)2 = 1.000Na+ + 1.000Al+3 - 2.000H+ + 1.000CO3-2 + 2.000H2O log_k -6.000 delta_h -61.630 #kJ/mol # Enthalpy of formation: -1964 #kJ/mol #76FER/STU -analytic -1.67971E+1 0E+0 3.21915E+3 0E+0 0E+0 Diaspore AlO(OH) = 1.000Al+3 - 3.000H+ + 2.000H2O log_k 6.860 delta_h -108.760 #kJ/mol # Enthalpy of formation: -1001.3 #kJ/mol #95ROB/HEM -analytic -1.21939E+1 0E+0 5.68092E+3 0E+0 0E+0 Dickite Al2Si2O5(OH)4 = 2.000Al+3 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O log_k 9.390 delta_h -185.218 #kJ/mol # Enthalpy of formation: -4099.8 #kJ/mol #03FIA/MAJ -analytic -2.30588E+1 0E+0 9.6746E+3 0E+0 0E+0 Dolomite CaMg(CO3)2 = 1.000Ca+2 + 1.000Mg+2 + 2.000CO3-2 log_k -17.120 delta_h -35.960 #kJ/mol # Enthalpy of formation: -2324.5 #kJ/mol #95ROB/HEM -analytic -2.34199E+1 0E+0 1.87832E+3 0E+0 0E+0 Downeyite SeO2 = 2.000H+ + 1.000SeO3-2 - 1.000H2O log_k -8.150 delta_h 4.060 #kJ/mol # Enthalpy of formation: -225.39 #kJ/mol #05OLI/NOL -analytic -7.43872E+0 0E+0 -2.12068E+2 0E+0 0E+0 Eastonite KMg2Al3Si2O10(OH)2 = 2.000Mg+2 + 1.000K+ + 3.000Al+3 - 14.000H+ + 2.000H4(SiO4) + 4.000H2O log_k 46.320 delta_h -518.108 #kJ/mol # Enthalpy of formation: -6348.94 #kJ/mol #98HOL/POW -analytic -4.44485E+1 0E+0 2.70626E+4 0E+0 0E+0 Epsonite Mg(SO4):7H2O = 1.000Mg+2 + 1.000SO4-2 + 7.000H2O log_k -1.880 #84HAR/MOL delta_h 10.990 #kJ/mol # Enthalpy of formation: -3388.14 #kJ/mol -analytic 4.53625E-2 0E+0 -5.74047E+2 0E+0 0E+0 Ettringite Ca6Al2(SO4)3(OH)12:26H2O = 6.000Ca+2 + 2.000Al+3 - 12.000H+ + 3.000SO4-2 + 38.000H2O log_k 56.970 #10BLA/BOU2 delta_h -379.830 #kJ/mol # Enthalpy of formation: -17544.53 #kJ/mol #10BLA/BOU2 -analytic -9.57326E+0 0E+0 1.98399E+4 0E+0 0E+0 Ettringite-Fe Ca6Fe2(SO4)3(OH)12:26H2O = 6.000Ca+2 + 2.000Fe+3 - 12.000H+ + 3.000SO4-2 + 38.000H2O log_k 54.550 #10BLA/BOU2 delta_h -343.754 #kJ/mol # Enthalpy of formation: -16601.806 #kJ/mol -analytic -5.67303E+0 0E+0 1.79555E+4 0E+0 0E+0 Eu(CO3)(OH)(cr) Eu(CO3)(OH) = 1.000Eu+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O log_k -9.630 delta_h -43.391 #kJ/mol # Enthalpy of formation: -1523 #kJ/mol #05ROR/FUG -analytic -1.72318E+1 0E+0 2.26647E+3 0E+0 0E+0 Eu(CO3)(OH):0.5H2O(s) Eu(CO3)(OH):0.5H2O = 1.000Eu+3 - 1.000H+ + 1.000CO3-2 + 1.500H2O log_k -7.800 #95SPA/BRU delta_h -55.906 #kJ/mol # Enthalpy of formation: -1653.4 #kJ/mol #05ROR/FUG -analytic -1.75943E+1 0E+0 2.92017E+3 0E+0 0E+0 Eu(NO3)3:6H2O(s) Eu(NO3)3:6H2O = 1.000Eu+3 + 3.000NO3- + 6.000H2O log_k 1.840 #95SPA/BRU delta_h 16.839 #kJ/mol # Enthalpy of formation: -2957.7 #kJ/mol #82WAG/EVA -analytic 4.79006E+0 0E+0 -8.79561E+2 0E+0 0E+0 Eu(OH)3(am) Eu(OH)3 = 1.000Eu+3 - 3.000H+ + 3.000H2O log_k 17.600 #98DIA/RAG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.76E+1 0E+0 0E+0 0E+0 0E+0 Eu(OH)3(cr) Eu(OH)3 = 1.000Eu+3 - 3.000H+ + 3.000H2O log_k 15.460 #98DIA/RAG delta_h -127.542 #kJ/mol # Enthalpy of formation: -1335.279 #kJ/mol -analytic -6.88437E+0 0E+0 6.66197E+3 0E+0 0E+0 Eu(PO4):xH2O(s) Eu(PO4) = 1.000Eu+3 - 2.000H+ + 1.000H2(PO4)- log_k -4.840 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.84E+0 0E+0 0E+0 0E+0 0E+0 Eu(cr) Eu = 1.000Eu+3 + 1.500H2O - 3.000H+ - 0.750O2 log_k 165.125 delta_h -1024.976 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA -analytic -1.44427E+1 0E+0 5.35381E+4 0E+0 0E+0 Eu2(CO3)3:3H2O(s) Eu2(CO3)3:3H2O = 2.000Eu+3 + 3.000CO3-2 + 3.000H2O log_k -35.000 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.5E+1 0E+0 0E+0 0E+0 0E+0 Eu2(SO4)3:8H2O(s) Eu2(SO4)3:8H2O = 2.000Eu+3 + 3.000SO4-2 + 8.000H2O log_k -10.200 #95SPA/BRU delta_h -90.974 #kJ/mol # Enthalpy of formation: -6134.348 #kJ/mol -analytic -2.61379E+1 0E+0 4.7519E+3 0E+0 0E+0 Eu2O3(cubic) Eu2O3 = 2.000Eu+3 - 6.000H+ + 3.000H2O log_k 52.400 #95SPA/BRU delta_h -405.453 #kJ/mol # Enthalpy of formation: -1662.7 #kJ/mol #82WAG/EVA -analytic -1.86322E+1 0E+0 2.11783E+4 0E+0 0E+0 Eu2O3(monoclinic) Eu2O3 = 2.000Eu+3 - 6.000H+ + 3.000H2O log_k 53.470 delta_h -418.514 #kJ/mol # Enthalpy of formation: -1649.638 #kJ/mol -analytic -1.98504E+1 0E+0 2.18605E+4 0E+0 0E+0 Eu3O4(s) Eu3O4 = 3.000Eu+3 - 9.000H+ + 4.500H2O - 0.250O2 log_k 114.515 delta_h -829.196 #kJ/mol # Enthalpy of formation: -2270 #kJ/mol -analytic -3.07536E+1 0E+0 4.33118E+4 0E+0 0E+0 EuBr3(s) EuBr3 = 1.000Eu+3 + 3.000Br- log_k 30.190 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.019E+1 0E+0 0E+0 0E+0 0E+0 EuCl(OH)2(s) EuCl(OH)2 = 1.000Eu+3 - 2.000H+ + 1.000Cl- + 2.000H2O log_k 9.130 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.13E+0 0E+0 0E+0 0E+0 0E+0 EuCl2(s) EuCl2 = 1.000Eu+3 + 2.000Cl- + 0.500H2O - 1.000H+ - 0.250O2 log_k 32.715 #95SPA/BRU delta_h -255.373 #kJ/mol # Enthalpy of formation: -824 #kJ/mol #82WAG/EVA -analytic -1.20243E+1 0E+0 1.3339E+4 0E+0 0E+0 EuCl3(s) EuCl3 = 1.000Eu+3 + 3.000Cl- log_k 19.720 #96FAL/REA delta_h -170.571 #kJ/mol # Enthalpy of formation: -936 #kJ/mol #82WAG/EVA -analytic -1.01627E+1 0E+0 8.90953E+3 0E+0 0E+0 EuCl3:6H2O(s) EuCl3:6H2O = 1.000Eu+3 + 3.000Cl- + 6.000H2O log_k 5.200 #95SPA/BRU delta_h -41.414 #kJ/mol # Enthalpy of formation: -2780.137 #kJ/mol -analytic -2.05541E+0 0E+0 2.1632E+3 0E+0 0E+0 EuF3(s) EuF3 = 1.000Eu+3 + 3.000F- log_k -18.500 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.85E+1 0E+0 0E+0 0E+0 0E+0 EuF3:0.5H2O(s) EuF3:0.5H2O = 1.000Eu+3 + 3.000F- + 0.500H2O log_k -17.200 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.72E+1 0E+0 0E+0 0E+0 0E+0 EuO(s) EuO = 1.000Eu+3 - 3.000H+ + 1.500H2O - 0.250O2 log_k 66.265 delta_h -439.894 #kJ/mol # Enthalpy of formation: -591.149 #kJ/mol -analytic -1.08009E+1 0E+0 2.29772E+4 0E+0 0E+0 EuOCl(s) EuOCl = 1.000Eu+3 - 2.000H+ + 1.000Cl- + 1.000H2O log_k 15.810 #95SPA/BRU delta_h -154.741 #kJ/mol # Enthalpy of formation: -903.5 #kJ/mol -analytic -1.12994E+1 0E+0 8.08267E+3 0E+0 0E+0 EuPO4:H2O(cr) EuPO4:H2O = 1.000Eu+3 - 2.000H+ + 1.000H2(PO4)- + 1.000H2O log_k -6.440 #97LIU/BYR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6.44E+0 0E+0 0E+0 0E+0 0E+0 EuSO4(s) EuSO4 = 1.000Eu+3 + 1.000SO4-2 + 0.500H2O - 1.000H+ - 0.250O2 log_k 18.975 #95SPA/BRU delta_h -232.746 #kJ/mol # Enthalpy of formation: -1421.807 #kJ/mol -analytic -2.18002E+1 0E+0 1.21571E+4 0E+0 0E+0 Fayalite Fe2(SiO4) = 2.000Fe+2 - 4.000H+ + 1.000H4(SiO4) log_k 19.510 delta_h -163.054 #kJ/mol # Enthalpy of formation: -1478.14 #kJ/mol #95ROB/HEM -analytic -9.05579E+0 0E+0 8.51689E+3 0E+0 0E+0 Fe(OH)2(cr) Fe(OH)2 = 1.000Fe+2 - 2.000H+ + 2.000H2O log_k 12.760 delta_h -99.056 #kJ/mol # Enthalpy of formation: -574.011 #kJ/mol -analytic -4.59384E+0 0E+0 5.17405E+3 0E+0 0E+0 Fe(PO4)(cr) Fe(PO4) = 1.000Fe+3 - 2.000H+ + 1.000H2(PO4)- log_k -6.240 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) delta_h -18.600 #kJ/mol # Enthalpy of formation: -1333 #kJ/mol -analytic -9.49858E+0 0E+0 9.71544E+2 0E+0 0E+0 Fe(s) Fe = 1.000Fe+2 + 1.000H2O - 2.000H+ - 0.500O2 log_k 58.850 #95PAR/KHO in 98CHI delta_h -369.763 #kJ/mol # Enthalpy of formation: 0 #kJ/mol -analytic -5.9296E+0 0E+0 1.9314E+4 0E+0 0E+0 Fe1.04Se(beta) Fe1.04Se = 1.040Fe+2 - 1.080H+ + 1.000HSe- + 0.040H2O - 0.020O2 log_k -1.680 delta_h -20.891 #kJ/mol # Enthalpy of formation: -69.6 #kJ/mol #05OLI/NOL -analytic -5.34026E+0 0E+0 1.09119E+3 0E+0 0E+0 Fe2(SeO3)3:6H2O(s) Fe2(SeO3)3:6H2O = 2.000Fe+3 + 3.000SeO3-2 + 6.000H2O log_k -41.580 #05OLI/NOL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.158E+1 0E+0 0E+0 0E+0 0E+0 Fe3Se4(gamma) Fe3Se4 = 3.000Fe+2 - 2.000H+ + 4.000HSe- - 1.000H2O + 0.500O2 log_k -68.590 delta_h 301.963 #kJ/mol # Enthalpy of formation: -235 #kJ/mol #05OLI/NOL -analytic -1.56884E+1 0E+0 -1.57726E+4 0E+0 0E+0 Fe5(OH)(PO4)3(s) Fe5(OH)(PO4)3 = 5.000Fe+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O log_k -402.320 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.0232E+2 0E+0 0E+0 0E+0 0E+0 Fe7Se8(alfa) Fe7Se8 = 7.000Fe+2 - 6.000H+ + 8.000HSe- - 1.000H2O + 0.500O2 log_k -78.590 delta_h 227.663 #kJ/mol # Enthalpy of formation: -463.5 #kJ/mol #05OLI/NOL -analytic -3.87052E+1 0E+0 -1.18916E+4 0E+0 0E+0 FeAl2O4(s) FeAl2O4 = 1.000Fe+2 + 2.000Al+3 - 8.000H+ + 4.000H2O log_k 27.200 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.72E+1 0E+0 0E+0 0E+0 0E+0 FeMoO4(s) FeMoO4 = 1.000Fe+2 + 1.000MoO4-2 log_k -8.350 delta_h -11.534 #kJ/mol # Enthalpy of formation: -1075.466 #kJ/mol -analytic -1.03707E+1 0E+0 6.02462E+2 0E+0 0E+0 FeO(s) FeO = 1.000Fe+2 - 2.000H+ + 1.000H2O log_k 13.370 #95ROB/HEM delta_h -103.830 #kJ/mol # Enthalpy of formation: -272 #kJ/mol -analytic -4.82021E+0 0E+0 5.42341E+3 0E+0 0E+0 FeS(am) FeS = 1.000Fe+2 - 1.000H+ + 1.000HS- log_k -2.950 #91DAV # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.95E+0 0E+0 0E+0 0E+0 0E+0 Ferrihydrite(am) Fe(OH)3 = 1.000Fe+3 - 3.000H+ + 3.000H2O log_k 2.540 #63SCH/MIC # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.54E+0 0E+0 0E+0 0E+0 0E+0 Ferroselite FeSe2 = 1.000Fe+2 + 2.000HSe- - 1.000H2O + 0.500O2 log_k -60.120 #05OLI/NOL delta_h 327.063 #kJ/mol # Enthalpy of formation: -108.7 #kJ/mol #05OLI/NOL -analytic -2.82111E+0 0E+0 -1.70837E+4 0E+0 0E+0 Ferrosilite FeSiO3 = 1.000Fe+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O log_k 32.710 #95TRO: CEA, N.T.SESD n¿ 95/49, L. TROTIGNON avril 1996; Critique et s¿lection de donn¿es thermodynamiques en vue de mod¿liser les ¿quilibres min¿ral - solution, rapport annuel 1995 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.271E+1 0E+0 0E+0 0E+0 0E+0 Ferryhydrite Fe(OH)3 = 1.000Fe+3 - 3.000H+ + 3.000H2O log_k 1.190 #05GRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.19E+0 0E+0 0E+0 0E+0 0E+0 Fluorapatite Ca5F(PO4)3 = 5.000Ca+2 - 6.000H+ + 1.000F- + 3.000H2(PO4)- log_k -0.910 #74HAG delta_h -115.603 #kJ/mol # Enthalpy of formation: -6842.547 #kJ/mol -analytic -2.11627E+1 0E+0 6.03836E+3 0E+0 0E+0 Fluorite CaF2 = 1.000Ca+2 + 2.000F- log_k -10.600 delta_h 19.623 #kJ/mol # Enthalpy of formation: -1233.323 #kJ/mol -analytic -7.1622E+0 0E+0 -1.02498E+3 0E+0 0E+0 Foshagite Ca4Si3O9(OH)2:0.5H2O = 4.000Ca+2 - 8.000H+ + 3.000H4(SiO4) - 0.500H2O log_k 65.960 #10BLA/BOU1 delta_h -380.237 #kJ/mol # Enthalpy of formation: -6032.43 #kJ/mol #56NEW -analytic -6.54565E-1 0E+0 1.98611E+4 0E+0 0E+0 Friedel-salt Ca4Al2(OH)12Cl2:4H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 2.000Cl- + 16.000H2O log_k 74.930 #10BLA/BOU2 delta_h -486.200 #kJ/mol # Enthalpy of formation: -7670.04 #kJ/mol #76HOU/STE -analytic -1.02485E+1 0E+0 2.5396E+4 0E+0 0E+0 Galena PbS = 1.000Pb+2 - 1.000H+ + 1.000HS- log_k -14.840 delta_h 82.940 #kJ/mol # Enthalpy of formation: -98.32 #kJ/mol #98CHA -analytic -3.09557E-1 0E+0 -4.33225E+3 0E+0 0E+0 Gaylussite CaNa2(CO3)2:5H2O = 1.000Ca+2 + 2.000Na+ + 2.000CO3-2 + 5.000H2O log_k -9.430 #99KON/KON delta_h 31.099 #kJ/mol # Enthalpy of formation: -3834.389 #kJ/mol -analytic -3.9817E+0 0E+0 -1.62441E+3 0E+0 0E+0 Gibbsite Al(OH)3 = 1.000Al+3 - 3.000H+ + 3.000H2O log_k 7.740 #95POK/HEL delta_h -102.759 #kJ/mol # Enthalpy of formation: -1293.131 #kJ/mol -analytic -1.02626E+1 0E+0 5.36747E+3 0E+0 0E+0 Gismondine Ca2Al4Si4O16:9H2O = 2.000Ca+2 + 4.000Al+3 - 16.000H+ + 4.000H4(SiO4) + 9.000H2O log_k 39.010 delta_h -477.046 #kJ/mol # Enthalpy of formation: -11179.8 #kJ/mol #89CHE/RIM -analytic -4.45647E+1 0E+0 2.49178E+4 0E+0 0E+0 Glaserite Na2K6(SO4)4 = 6.000K+ + 2.000Na+ + 4.000SO4-2 log_k -7.610 #80HAR/WEA delta_h 78.360 #kJ/mol # Enthalpy of formation: -5709.24 #kJ/mol -analytic 6.11806E+0 0E+0 -4.09302E+3 0E+0 0E+0 Glauberite Na2Ca(SO4)2 = 1.000Ca+2 + 2.000Na+ + 2.000SO4-2 log_k 1.970 #84HAR/MOL delta_h -13.160 #kJ/mol # Enthalpy of formation: -2829.2 #kJ/mol #82WAG/EVA -analytic -3.3553E-1 0E+0 6.87394E+2 0E+0 0E+0 Glauconite (K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 = 0.250Mg+2 + 0.750K+ + 1.250Fe+3 + 0.250Fe+2 + 0.500Al+3 - 7.000H+ + 3.750H4(SiO4) - 3.000H2O log_k 1.860 delta_h -129.662 #kJ/mol # Enthalpy of formation: -5151.13 #kJ/mol #15BLA/VIE -analytic -2.08558E+1 0E+0 6.77271E+3 0E+0 0E+0 Goethite FeOOH = 1.000Fe+3 - 3.000H+ + 2.000H2O log_k 0.390 #63SCH/MIC delta_h -61.522 #kJ/mol # Enthalpy of formation: -559.124 #kJ/mol -analytic -1.03882E+1 0E+0 3.21351E+3 0E+0 0E+0 Greenalite Fe3Si2O5(OH)4 = 3.000Fe+2 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O log_k 21.770 delta_h -177.218 #kJ/mol # Enthalpy of formation: -3301 #kJ/mol #83MIY/KLE -analytic -9.27722E+0 0E+0 9.25673E+3 0E+0 0E+0 Gypsum CaSO4:2H2O = 1.000Ca+2 + 1.000SO4-2 + 2.000H2O log_k -4.610 delta_h -1.050 #kJ/mol # Enthalpy of formation: -2022.95 #kJ/mol #87GAR/PAR -analytic -4.79395E+0 0E+0 5.48452E+1 0E+0 0E+0 Gyrolite Ca2Si3O7.5(OH):2H2O = 2.000Ca+2 - 4.000H+ + 3.000H4(SiO4) - 1.500H2O log_k 22.340 #10BLA/BOU1 delta_h -122.847 #kJ/mol # Enthalpy of formation: -4917.99 #kJ/mol #10BLA/BOU1 -analytic 8.18161E-1 0E+0 6.41674E+3 0E+0 0E+0 H2MoO4(s) H2MoO4 = 2.000H+ + 1.000MoO4-2 log_k -13.170 delta_h 48.763 #kJ/mol # Enthalpy of formation: -1045.763 #kJ/mol -analytic -4.6271E+0 0E+0 -2.54707E+3 0E+0 0E+0 H3Cit:H2O(cr) H3Cit:H2O = 3.000H+ + 1.000Cit-3 + 1.000H2O log_k -12.940 #05HUM/AND delta_h 32.710 #kJ/mol # Enthalpy of formation: -1838.46 #kJ/mol -analytic -7.20946E+0 0E+0 -1.70856E+3 0E+0 0E+0 H4Edta(cr) H4Edta = 4.000H+ + 1.000Edta-4 log_k -27.220 #05HUM/AND delta_h 55.000 #kJ/mol # Enthalpy of formation: -1759.8 #kJ/mol -analytic -1.75844E+1 0E+0 -2.87285E+3 0E+0 0E+0 HBeidellite-Ca Ca0.17Al2.34Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O log_k 2.110 delta_h -160.492 #kJ/mol # Enthalpy of formation: -7056.996 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -2.6007E+1 0E+0 8.38307E+3 0E+0 0E+0 HBeidellite-K K0.34Al2.34Si3.66O10(OH)2:1.96H2O = 0.340K+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O log_k 2.240 delta_h -167.142 #kJ/mol # Enthalpy of formation: -6332.047 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -2.7042E+1 0E+0 8.73042E+3 0E+0 0E+0 HBeidellite-Mg Mg0.17Al2.34Si3.66O10(OH)2:4.61H2O = 0.170Mg+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O log_k 2.240 delta_h -159.892 #kJ/mol # Enthalpy of formation: -7090.409 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -2.57718E+1 0E+0 8.35173E+3 0E+0 0E+0 HBeidellite-Na Na0.34Al2.34Si3.66O10(OH)2:3.84H2O = 0.340Na+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O log_k 1.860 delta_h -171.523 #kJ/mol # Enthalpy of formation: -6861.015 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -2.81895E+1 0E+0 8.95926E+3 0E+0 0E+0 HMontmorillonite-BCCa Ca0.17Mg0.34Al1.66Si4O10(OH)2:4.45H2O = 0.170Ca+2 + 0.340Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.450H2O log_k 2.200 delta_h -118.557 #kJ/mol # Enthalpy of formation: -6999.676 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -1.85703E+1 0E+0 6.19265E+3 0E+0 0E+0 HMontmorillonite-BCK K0.34Mg0.34Al1.66Si4O10(OH)2:1.96H2O = 0.340Mg+2 + 0.340K+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 2.040H2O log_k 2.090 delta_h -123.828 #kJ/mol # Enthalpy of formation: -6276.107 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -1.96037E+1 0E+0 6.46798E+3 0E+0 0E+0 HMontmorillonite-BCMg Mg0.17Mg0.34Al1.66Si4O10(OH)2:4.61H2O = 0.510Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.610H2O log_k 2.350 delta_h -118.107 #kJ/mol # Enthalpy of formation: -7032.939 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -1.83414E+1 0E+0 6.16915E+3 0E+0 0E+0 HMontmorillonite-BCNa Na0.34Mg0.34Al1.66Si4O10(OH)2:3.84H2O = 0.340Mg+2 + 0.340Na+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 0.160H2O log_k 1.790 delta_h -128.688 #kJ/mol # Enthalpy of formation: -6804.595 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -2.07551E+1 0E+0 6.72183E+3 0E+0 0E+0 HMontmorillonite-HCCa Ca0.3Mg0.6Al1.4Si4O10(OH)2:4.45H2O = 0.300Ca+2 + 0.600Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.450H2O log_k 6.180 delta_h -134.133 #kJ/mol # Enthalpy of formation: -7036.126 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -1.73191E+1 0E+0 7.00624E+3 0E+0 0E+0 HMontmorillonite-HCK K0.6Mg0.6Al1.4Si4O10(OH)2:1.96H2O = 0.600Mg+2 + 0.600K+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 2.040H2O log_k 4.260 delta_h -119.730 #kJ/mol # Enthalpy of formation: -6327.197 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -1.67158E+1 0E+0 6.25392E+3 0E+0 0E+0 HMontmorillonite-HCMg Mg0.3Mg0.6Al1.4Si4O10(OH)2:4.61H2O = 0.900Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.610H2O log_k 6.500 delta_h -133.713 #kJ/mol # Enthalpy of formation: -7059.479 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -1.69255E+1 0E+0 6.98431E+3 0E+0 0E+0 HMontmorillonite-HCNa Na0.6Mg0.6Al1.4Si4O10(OH)2:3.84H2O = 0.600Mg+2 + 0.600Na+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 0.160H2O log_k 4.560 delta_h -132.493 #kJ/mol # Enthalpy of formation: -6844.715 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -1.86517E+1 0E+0 6.92058E+3 0E+0 0E+0 HNontronite-Ca Ca0.17Fe1.67Al0.67Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O log_k -2.830 delta_h -109.854 #kJ/mol # Enthalpy of formation: -6290.336 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -2.20756E+1 0E+0 5.73807E+3 0E+0 0E+0 HNontronite-K K0.34Fe1.67Al0.67Si3.66O10(OH)2:1.96H2O = 0.340K+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O log_k -2.700 delta_h -116.514 #kJ/mol # Enthalpy of formation: -5565.377 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -2.31123E+1 0E+0 6.08594E+3 0E+0 0E+0 HNontronite-Mg Mg0.17Fe1.67Al0.67Si3.66O10(OH)2:4.61H2O = 0.170Mg+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O log_k -2.530 delta_h -109.254 #kJ/mol # Enthalpy of formation: -6323.749 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -2.16705E+1 0E+0 5.70673E+3 0E+0 0E+0 HNontronite-Na Na0.34Fe1.67Al0.67Si3.66O10(OH)2:3.84H2O = 0.340Na+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O log_k -3.090 delta_h -120.885 #kJ/mol # Enthalpy of formation: -6094.355 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -2.42681E+1 0E+0 6.31425E+3 0E+0 0E+0 HSaponite-Ca Ca0.17Mg3Al0.34Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 3.000Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O log_k 28.390 delta_h -239.662 #kJ/mol # Enthalpy of formation: -7302.026 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -1.35969E+1 0E+0 1.25184E+4 0E+0 0E+0 HSaponite-FeCa Ca0.17Mg2FeAl0.34Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 2.000Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O log_k 27.980 delta_h -235.552 #kJ/mol # Enthalpy of formation: -6929.136 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -1.32869E+1 0E+0 1.23037E+4 0E+0 0E+0 HSaponite-FeK K0.34Mg2FeAl0.34Si3.66O10(OH)2:1.96H2O = 2.000Mg+2 + 0.340K+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O log_k 28.110 delta_h -242.212 #kJ/mol # Enthalpy of formation: -6204.177 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -1.43237E+1 0E+0 1.26516E+4 0E+0 0E+0 HSaponite-FeMg Mg0.17Mg2FeAl0.34Si3.66O10(OH)2:4.61H2O = 2.170Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O log_k 28.070 delta_h -234.962 #kJ/mol # Enthalpy of formation: -6962.539 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -1.30935E+1 0E+0 1.22729E+4 0E+0 0E+0 HSaponite-FeNa Na0.34Mg2FeAl0.34Si3.66O10(OH)2:3.84H2O = 2.000Mg+2 + 0.340Na+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O log_k 27.720 delta_h -246.583 #kJ/mol # Enthalpy of formation: -6733.155 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -1.54794E+1 0E+0 1.28799E+4 0E+0 0E+0 HSaponite-K K0.34Mg3Al0.34Si3.66O10(OH)2:1.96H2O = 3.000Mg+2 + 0.340K+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O log_k 28.520 delta_h -246.322 #kJ/mol # Enthalpy of formation: -6577.067 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -1.46337E+1 0E+0 1.28663E+4 0E+0 0E+0 HSaponite-Mg Mg0.17Mg3Al0.34Si3.66O10(OH)2:4.61H2O = 3.170Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O log_k 28.510 delta_h -239.062 #kJ/mol # Enthalpy of formation: -7335.439 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -1.33718E+1 0E+0 1.24871E+4 0E+0 0E+0 HSaponite-Na Na0.34Mg3Al0.34Si3.66O10(OH)2:3.84H2O = 3.000Mg+2 + 0.340Na+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O log_k 28.130 delta_h -250.693 #kJ/mol # Enthalpy of formation: -7106.45 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -1.57895E+1 0E+0 1.30946E+4 0E+0 0E+0 HVermiculite-Ca Ca0.43Mg3.00Si3.14Al0.86O10(OH)2:4.45H2O = 0.430Ca+2 + 3.000Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 3.890H2O log_k 97.850 delta_h -683.046 #kJ/mol # Enthalpy of formation: -7114.496 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -2.18143E+1 0E+0 3.56779E+4 0E+0 0E+0 HVermiculite-K K0.86Mg3.00Si3.14Al0.86O10(OH)2:1.96H2O = 3.000Mg+2 + 0.860K+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 1.400H2O log_k 87.710 delta_h -609.749 #kJ/mol # Enthalpy of formation: -6459.427 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -1.91133E+1 0E+0 3.18494E+4 0E+0 0E+0 HVermiculite-Mg Mg0.43Mg3.00Si3.14Al0.86O10(OH)2:4.61H2O = 3.430Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 4.050H2O log_k 68.210 delta_h -523.376 #kJ/mol # Enthalpy of formation: -7287.219 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -2.34814E+1 0E+0 2.73378E+4 0E+0 0E+0 HVermiculite-Na Na0.86Mg3.00Si3.14Al0.86O10(OH)2:3.84H2O = 3.000Mg+2 + 0.860Na+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 3.280H2O log_k 96.550 delta_h -673.353 #kJ/mol # Enthalpy of formation: -6923.035 #kJ/mol #13BLA/VI; 11VIE/BLA -analytic -2.14162E+1 0E+0 3.51716E+4 0E+0 0E+0 Halite NaCl = 1.000Na+ + 1.000Cl- log_k 1.590 delta_h 3.700 #kJ/mol # Enthalpy of formation: -411.12 #kJ/mol #98CHA -analytic 2.23821E+0 0E+0 -1.93264E+2 0E+0 0E+0 Halloysite Al2Si2O5(OH)4 = 2.000Al+3 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O log_k 10.320 delta_h -192.418 #kJ/mol # Enthalpy of formation: -4092.6 #kJ/mol #99DEL/NAV -analytic -2.33901E+1 0E+0 1.00507E+4 0E+0 0E+0 Hausmannite Mn3O4 = 3.000Mn+2 - 6.000H+ + 3.000H2O + 0.500O2 log_k 18.330 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.833E+1 0E+0 0E+0 0E+0 0E+0 Heazlewoodite Ni3S2 = 3.000Ni+2 - 4.000H+ + 2.000HS- + 1.000H2O - 0.500O2 log_k 25.760 delta_h -260.199 #kJ/mol # Enthalpy of formation: -217.2 #kJ/mol #05GAM/BUG -analytic -1.98248E+1 0E+0 1.35911E+4 0E+0 0E+0 Hematite Fe2O3 = 2.000Fe+3 - 6.000H+ + 3.000H2O log_k -1.020 #05GRI delta_h -123.679 #kJ/mol # Enthalpy of formation: -831.811 #kJ/mol -analytic -2.26876E+1 0E+0 6.46019E+3 0E+0 0E+0 Hemicarboaluminate Ca6O6:Al4O6:CaCO3:Ca(OH)2:21H2O = 8.000Ca+2 + 4.000Al+3 - 26.000H+ + 1.000CO3-2 + 35.000H2O log_k 173.200 #07MAT/LOT1 delta_h -1188.595 #kJ/mol # Enthalpy of formation: -15988.285 #kJ/mol -analytic -3.50326E+1 0E+0 6.20845E+4 0E+0 0E+0 Herzenbergite SnS = 1.000Sn+2 - 1.000H+ + 1.000HS- log_k -16.210 delta_h 83.683 #kJ/mol # Enthalpy of formation: -109.6 #kJ/mol #12GAM/GAJ -analytic -1.54939E+0 0E+0 -4.37106E+3 0E+0 0E+0 Heulandite_Ca Ca1.07Al2.14Si6.86O18:6.17H2O = 1.070Ca+2 + 2.140Al+3 - 8.560H+ + 6.860H4(SiO4) - 3.270H2O log_k 2.460 #09BLA delta_h -155.113 #kJ/mol # Enthalpy of formation: -10667.2 #kJ/mol #09BLA -analytic -2.47146E+1 0E+0 8.1021E+3 0E+0 0E+0 Heulandite_Na Na2.14Al2.14Si6.86O18:6.17H2O = 2.140Na+ + 2.140Al+3 - 8.560H+ + 6.860H4(SiO4) - 3.270H2O log_k 2.800 #09BLA delta_h -142.780 #kJ/mol # Enthalpy of formation: -10612.85 #kJ/mol #09BLA -analytic -2.22139E+1 0E+0 7.45791E+3 0E+0 0E+0 Hexahydrite Mg(SO4):6H2O = 1.000Mg+2 + 1.000SO4-2 + 6.000H2O log_k -1.640 #84HAR/MOL delta_h -4.625 #kJ/mol # Enthalpy of formation: -3086.695 #kJ/mol -analytic -2.45026E+0 0E+0 2.4158E+2 0E+0 0E+0 Hf(HPO4)2:H2O(s) Hf(HPO4)2:H2O = - 2.000H+ + 2.000H2(PO4)- + 1.000Hf+4 + 1.000H2O log_k -21.050 #25HEV/KIM recalculated # delta_h 0.000 #kJ/mol # Enthalpy of formation: -3481.6 #kJ/mol #97KAR/CHE -analytic -2.105E+1 0E+0 0E+0 0E+0 0E+0 #Hf(cr) #Hf = 1.000Hf+4 + 2.000H2O - 4.000H+ - 1.000O2 # log_k # delta_h 0.000 #kJ/mol # Enthalpy of formation: 0 #kJ/mol # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 HfO2(am) HfO2 = - 4.000H+ + 1.000Hf+4 + 2.000H2O log_k 0.900 #01RAI/XIA # delta_h 0.000 #kJ/mol # Enthalpy of formation: -1101.7 #kJ/mol #98KAR/CHE -analytic 9E-1 0E+0 0E+0 0E+0 0E+0 HfO2(cr) HfO2 = - 4.000H+ + 1.000Hf+4 + 2.000H2O log_k -5.600 # delta_h 0.000 #kJ/mol # Enthalpy of formation: -1117.63 #kJ/mol #75KOR/USH -analytic -5.6E+0 0E+0 0E+0 0E+0 0E+0 Hg2SeO3(s) Hg2SeO3 = 1.000SeO3-2 + 1.000Hg2+2 log_k -15.200 #05OLI/NOL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.52E+1 0E+0 0E+0 0E+0 0E+0 HgSeO3(s) HgSeO3 = 1.000Hg+2 + 1.000SeO3-2 log_k -16.200 #05OLI/NOL delta_h 36.650 #kJ/mol # Enthalpy of formation: -373.6 #kJ/mol #05OLI/NOL -analytic -9.77921E+0 0E+0 -1.91436E+3 0E+0 0E+0 Hillebrandite Ca2SiO3(OH)2:0.17H2O = 2.000Ca+2 - 4.000H+ + 1.000H4(SiO4) + 1.170H2O log_k 36.950 #10BLA/BOU1 delta_h -219.135 #kJ/mol # Enthalpy of formation: -2662.48 #kJ/mol #56NEW -analytic -1.44075E+0 0E+0 1.14462E+4 0E+0 0E+0 Ho(OH)3(am) Ho(OH)3 = - 3.000H+ + 1.000Ho+3 + 3.000H2O log_k 17.480 #98DIA/RAG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.748E+1 0E+0 0E+0 0E+0 0E+0 Ho(OH)3(s) Ho(OH)3 = - 3.000H+ + 1.000Ho+3 + 3.000H2O log_k 15.430 #98DIA/RAG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.543E+1 0E+0 0E+0 0E+0 0E+0 Ho(PO4):xH2O(s) Ho(PO4) = - 2.000H+ + 1.000Ho+3 + 1.000H2(PO4)- log_k -4.640 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.64E+0 0E+0 0E+0 0E+0 0E+0 Ho(cr) Ho = 1.000Ho+3 + 1.500H2O - 3.000H+ - 0.750O2 log_k 182.795 delta_h -1126.687 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA -analytic -1.45917E+1 0E+0 5.88508E+4 0E+0 0E+0 Ho2(CO3)3(cr) Ho2(CO3)3 = 2.000Ho+3 + 3.000CO3-2 log_k -33.800 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.38E+1 0E+0 0E+0 0E+0 0E+0 Ho2O3(s) Ho2O3 = - 6.000H+ + 2.000Ho+3 + 3.000H2O log_k 47.410 delta_h -390.718 #kJ/mol # Enthalpy of formation: -1880.856 #kJ/mol -analytic -2.10408E+1 0E+0 2.04086E+4 0E+0 0E+0 HoCl3:6H2O(s) HoCl3:6H2O = 1.000Ho+3 + 3.000Cl- + 6.000H2O log_k 5.390 #95SPA/BRU delta_h -43.855 #kJ/mol # Enthalpy of formation: -2879.407 #kJ/mol -analytic -2.29305E+0 0E+0 2.2907E+3 0E+0 0E+0 HoF3:0.5H2O(s) HoF3:0.5H2O = 1.000Ho+3 + 3.000F- + 0.500H2O log_k -16.400 #95SPA/BRU delta_h -149.007 #kJ/mol # Enthalpy of formation: -1707 #kJ/mol #82WAG/EVA -analytic -4.25049E+1 0E+0 7.78317E+3 0E+0 0E+0 HoPO4:H2O(cr) HoPO4:H2O = - 2.000H+ + 1.000Ho+3 + 1.000H2(PO4)- + 1.000H2O log_k -5.560 #97LIU/BYR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -5.56E+0 0E+0 0E+0 0E+0 0E+0 Hydrocerussite Pb3(CO3)2(OH)2 = 3.000Pb+2 - 2.000H+ + 2.000CO3-2 + 2.000H2O log_k -17.910 delta_h -5.160 #kJ/mol # Enthalpy of formation: -1914.2 #kJ/mol #83SAN/BAR -analytic -1.8814E+1 0E+0 2.69525E+2 0E+0 0E+0 Hydrophilite CaCl2 = 1.000Ca+2 + 2.000Cl- log_k 11.770 delta_h -81.360 #kJ/mol # Enthalpy of formation: -795.8 #kJ/mol #98CHA -analytic -2.48364E+0 0E+0 4.24972E+3 0E+0 0E+0 Hydrotalcite Mg4Al2(OH)14:3H2O = 4.000Mg+2 + 2.000Al+3 - 14.000H+ + 17.000H2O log_k 73.740 #92ATK/GLA delta_h -583.985 #kJ/mol # Enthalpy of formation: -7219.925 #kJ/mol -analytic -2.85696E+1 0E+0 3.05036E+4 0E+0 0E+0 Hydrotalcite-CO3 Mg4Al2(OH)12CO3:2H2O = 4.000Mg+2 + 2.000Al+3 - 12.000H+ + 1.000CO3-2 + 14.000H2O log_k 50.860 #03JOH/GLA delta_h -542.565 #kJ/mol # Enthalpy of formation: -7079.085 #kJ/mol -analytic -4.41932E+1 0E+0 2.83401E+4 0E+0 0E+0 Hydroxyapatite Ca5(OH)(PO4)3 = 5.000Ca+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O log_k 14.350 #84NAN delta_h -178.487 #kJ/mol # Enthalpy of formation: -6730.143 #kJ/mol -analytic -1.69195E+1 0E+0 9.32301E+3 0E+0 0E+0 Illite-Al K0.85Al2.85Si3.15O10(OH)2 = 0.850K+ + 2.850Al+3 - 9.400H+ + 3.150H4(SiO4) - 0.600H2O log_k 13.020 delta_h -266.372 #kJ/mol # Enthalpy of formation: -5913.65 #kJ/mol #15BLA/VIE -analytic -3.36463E+1 0E+0 1.39136E+4 0E+0 0E+0 Illite-FeII K0.85Fe0.25Al2.35Si3.4O10(OH)2 = 0.850K+ + 0.250Fe+2 + 2.350Al+3 - 8.400H+ + 3.400H4(SiO4) - 1.600H2O log_k 9.450 delta_h -216.501 #kJ/mol # Enthalpy of formation: -5796.29 #kJ/mol #15BLA/VIE -analytic -2.84793E+1 0E+0 1.13086E+4 0E+0 0E+0 Illite-Mg K0.85Mg0.25Al2.35Si3.4O10(OH)2 = 0.250Mg+2 + 0.850K+ + 2.350Al+3 - 8.400H+ + 3.400H4(SiO4) - 1.600H2O log_k 11.010 delta_h -225.651 #kJ/mol # Enthalpy of formation: -5881.39 #kJ/mol #15BLA/VIE -analytic -2.85223E+1 0E+0 1.17866E+4 0E+0 0E+0 Illite-Smec_ISCz-1(2.996H2O) (Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2:2.996H2O = 0.218Mg+2 + 0.530K+ + 0.134Na+ + 0.050Fe+3 + 0.017Fe+2 + 2.152Al+3 - 7.740H+ + 3.565H4(SiO4) + 0.736H2O log_k 13.650 delta_h -225.171 #kJ/mol # Enthalpy of formation: -6624.62 #kJ/mol #09GAI -analytic -2.57982E+1 0E+0 1.17615E+4 0E+0 0E+0 Illite/smectiteISCz-1 (Ca0.092K0.439)(Si3.559Al0.441)(Al1.728Fe0.011Fe0.034Mg0.255)O10(OH)2 = 0.092Ca+2 + 0.255Mg+2 + 0.439K+ + 0.034Fe+3 + 0.011Fe+2 + 2.169Al+3 - 7.764H+ + 3.559H4(SiO4) - 2.236H2O log_k 10.900 delta_h -224.050 #kJ/mol # Enthalpy of formation: -5787.4 #kJ/mol #14BLA/GAI -analytic -2.83518E+1 0E+0 1.17029E+4 0E+0 0E+0 Illite_Imt-2 (Na0.044K0.762)(Si3.387Al0.613)(Al1.427Fe0.292Fe0.084Mg0.241)O10(OH)2 = 0.241Mg+2 + 0.762K+ + 0.044Na+ + 0.292Fe+3 + 0.084Fe+2 + 2.040Al+3 - 8.452H+ + 3.387H4(SiO4) - 1.548H2O log_k 11.540 delta_h -230.806 #kJ/mol # Enthalpy of formation: -5711.25 #kJ/mol #12GAI/BLA -analytic -2.88954E+1 0E+0 1.20558E+4 0E+0 0E+0 Jaffeite Ca6(Si2O7)(OH)6 = 6.000Ca+2 - 12.000H+ + 2.000H4(SiO4) + 5.000H2O log_k 114.060 delta_h -636.768 #kJ/mol # Enthalpy of formation: -6972.77 #kJ/mol #10BLA/BOU1 -analytic 2.5032E+0 0E+0 3.32607E+4 0E+0 0E+0 Jennite Ca9Si6O16(OH)10:6(H2O) = 9.000Ca+2 - 18.000H+ + 6.000H4(SiO4) + 8.000H2O log_k 147.330 #10BLA/BOU1 delta_h -751.764 #kJ/mol # Enthalpy of formation: -15189.04 #kJ/mol #10BLA/BOU1 -analytic 1.56268E+1 0E+0 3.92673E+4 0E+0 0E+0 K(NO3)(s) K(NO3) = 1.000K+ + 1.000NO3- log_k -0.100 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1E-1 0E+0 0E+0 0E+0 0E+0 K(OH)(s) K(OH) = 1.000K+ - 1.000H+ + 1.000H2O log_k 24.600 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0 K(TcO4)(s) K(TcO4) = 1.000K+ + 1.000TcO4- log_k -2.280 delta_h 53.560 #kJ/mol # Enthalpy of formation: -1035.1 #kJ/mol #99RAR/RAN -analytic 7.1033E+0 0E+0 -2.79763E+3 0E+0 0E+0 K(cr) K = 1.000K+ + 0.500H2O - 1.000H+ - 0.250O2 log_k 70.985 delta_h -392.022 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #89COX/WAG -analytic 2.30588E+0 0E+0 2.04767E+4 0E+0 0E+0 K-carbonate K2CO3:1.5H2O = 2.000K+ + 1.000CO3-2 + 1.500H2O log_k 3.030 #84HAR/MOL delta_h -1.188 #kJ/mol # Enthalpy of formation: -1607.067 #kJ/mol -analytic 2.82187E+0 0E+0 6.20535E+1 0E+0 0E+0 K-trona K2NaH(CO3)2:2H2O = 2.000K+ + 1.000Na+ + 1.000H+ + 2.000CO3-2 + 2.000H2O log_k -9.100 #84HAR/MOL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -9.1E+0 0E+0 0E+0 0E+0 0E+0 K2CO3(cr) K2CO3 = 2.000K+ + 1.000CO3-2 log_k 5.410 delta_h -31.798 #kJ/mol # Enthalpy of formation: -1147.712 #kJ/mol -analytic -1.60762E-1 0E+0 1.66092E+3 0E+0 0E+0 K2O(s) K2O = 2.000K+ - 2.000H+ + 1.000H2O log_k 84.110 delta_h -426.940 #kJ/mol # Enthalpy of formation: -363.17 #kJ/mol #98CHA -analytic 9.31343E+0 0E+0 2.23006E+4 0E+0 0E+0 K4NpO2(CO3)3(s) K4NpO2(CO3)3 = 4.000K+ + 1.000NpO2+2 + 3.000CO3-2 log_k -26.400 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.64E+1 0E+0 0E+0 0E+0 0E+0 KAl(SO4)2(s) KAl(SO4)2 = 1.000K+ + 1.000Al+3 + 2.000SO4-2 log_k 3.740 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.74E+0 0E+0 0E+0 0E+0 0E+0 KAl(SO4)2:12H2O(s) KAl(SO4)2:12H2O = 1.000K+ + 1.000Al+3 + 2.000SO4-2 + 12.000H2O log_k -6.680 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6.68E+0 0E+0 0E+0 0E+0 0E+0 KBr(s) KBr = 1.000K+ + 1.000Br- log_k 1.130 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.13E+0 0E+0 0E+0 0E+0 0E+0 KFe(CrO4)2:2H2O(s) KFe(CrO4)2:2H2O = 1.000K+ + 1.000Fe+3 + 2.000CrO4-2 + 2.000H2O log_k -19.390 #98BAR/PAL delta_h 27.540 #kJ/mol #98BAR/PAL # Enthalpy of formation: -2658.34 #kJ/mol -analytic -1.45652E+1 0E+0 -1.43851E+3 0E+0 0E+0 KFe3(CrO4)2(OH)6(cr) KFe3(CrO4)2(OH)6 = 1.000K+ + 3.000Fe+3 - 6.000H+ + 2.000CrO4-2 + 6.000H2O log_k -18.400 #96BAR/PAL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.84E+1 0E+0 0E+0 0E+0 0E+0 KH2PO4(cr) KH2PO4 = 1.000K+ + 1.000H2(PO4)- log_k -0.370 delta_h 19.686 #kJ/mol #74NAU/RYZ # Enthalpy of formation: -1574.426 #kJ/mol -analytic 3.07883E+0 0E+0 -1.02827E+3 0E+0 0E+0 KI(s) KI = 1.000K+ + 1.000I- log_k 1.740 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.74E+0 0E+0 0E+0 0E+0 0E+0 Kainite KMgCl(SO4):3H2O = 1.000Mg+2 + 1.000K+ + 1.000SO4-2 + 1.000Cl- + 3.000H2O log_k -0.190 #84HAR/MOL delta_h -12.950 #kJ/mol # Enthalpy of formation: -2640.1 #kJ/mol #82WAG/EVA -analytic -2.45874E+0 0E+0 6.76425E+2 0E+0 0E+0 Kalicinite KHCO3 = 1.000K+ + 1.000H+ + 1.000CO3-2 log_k -10.060 #84HAR/MOL delta_h 34.950 #kJ/mol # Enthalpy of formation: -962.32 #kJ/mol #74NAU/RYZ -analytic -3.93703E+0 0E+0 -1.82556E+3 0E+0 0E+0 Kaolinite Al2(Si2O5)(OH)4 = 2.000Al+3 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O log_k 6.510 delta_h -169.718 #kJ/mol # Enthalpy of formation: -4115.3 #kJ/mol #01FIA/NAV -analytic -2.32233E+1 0E+0 8.86498E+3 0E+0 0E+0 Katoite Ca3Al2(SiO4)(OH)8 = 3.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000H4(SiO4) + 8.000H2O log_k 71.160 #10BLA/BOU2 delta_h -545.657 #kJ/mol # Enthalpy of formation: -5907.977 #kJ/mol -analytic -2.44349E+1 0E+0 2.85016E+4 0E+0 0E+0 Lanarkite PbSO4:PbO = 2.000Pb+2 - 2.000H+ + 1.000SO4-2 + 1.000H2O log_k 2.630 #82ABD/THO delta_h -39.234 #kJ/mol # Enthalpy of formation: -1154.096 #kJ/mol -analytic -4.24349E+0 0E+0 2.04933E+3 0E+0 0E+0 Lansfordite Mg(CO3):5H2O = 1.000Mg+2 + 1.000CO3-2 + 5.000H2O log_k -5.040 delta_h 2.890 #kJ/mol # Enthalpy of formation: -2574.27 #kJ/mol #99KON/KON -analytic -4.53369E+0 0E+0 -1.50955E+2 0E+0 0E+0 Laumontite CaAl2Si4O12:4H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 4.000H4(SiO4) log_k 11.700 delta_h -213.576 #kJ/mol # Enthalpy of formation: -7251 #kJ/mol #96KIS/NAV -analytic -2.57169E+1 0E+0 1.11558E+4 0E+0 0E+0 Laurionite PbClOH = 1.000Pb+2 - 1.000H+ + 1.000Cl- + 1.000H2O log_k 0.620 #99LOT/OCH # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.2E-1 0E+0 0E+0 0E+0 0E+0 Lawrencite FeCl2 = 1.000Fe+2 + 2.000Cl- log_k 8.890 delta_h -82.460 #kJ/mol # Enthalpy of formation: -341.7 #kJ/mol #95ROB/HEM -analytic -5.55635E+0 0E+0 4.30718E+3 0E+0 0E+0 Leonhardtite MgSO4:4H2O = 1.000Mg+2 + 1.000SO4-2 + 4.000H2O log_k -0.890 #80HAR/WEA delta_h -24.030 #kJ/mol # Enthalpy of formation: -2495.63 #kJ/mol #74NAU/RYZ -analytic -5.09987E+0 0E+0 1.25517E+3 0E+0 0E+0 Leonite K2Mg(SO4)2:4H2O = 1.000Mg+2 + 2.000K+ + 2.000SO4-2 + 4.000H2O log_k -3.980 #84HAR/MOL delta_h 15.290 #kJ/mol # Enthalpy of formation: -3948.57 #kJ/mol #74NAU/RYZ -analytic -1.30131E+0 0E+0 -7.98651E+2 0E+0 0E+0 Lepidocrocite FeOOH = 1.000Fe+3 - 3.000H+ + 2.000H2O log_k 0.750 #98DIA2 in 98CHI delta_h -64.260 #kJ/mol # Enthalpy of formation: -556.4 #kJ/mol -analytic -1.05079E+1 0E+0 3.35653E+3 0E+0 0E+0 Linnaeite Co3S4 = 3.000Co+2 - 2.000H+ + 4.000HS- - 1.000H2O + 0.500O2 log_k -85.750 delta_h 416.263 #kJ/mol # Enthalpy of formation: -374.5 #kJ/mol #95ROB/HEM -analytic -1.2824E+1 0E+0 -2.17429E+4 0E+0 0E+0 Litharge PbO = 1.000Pb+2 - 2.000H+ + 1.000H2O log_k 12.630 delta_h -65.501 #kJ/mol # Enthalpy of formation: -219.409 #kJ/mol #98CHA -analytic 1.15473E+0 0E+0 3.42135E+3 0E+0 0E+0 Lizardite Mg3Si2O5(OH)4 = 3.000Mg+2 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O log_k 33.100 delta_h -247.218 #kJ/mol # Enthalpy of formation: -4362 #kJ/mol #04EVA -analytic -1.02107E+1 0E+0 1.29131E+4 0E+0 0E+0 Mackinawite FeS = 1.000Fe+2 - 1.000H+ + 1.000HS- log_k -3.600 #91DAV # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.6E+0 0E+0 0E+0 0E+0 0E+0 Maghemite(disord) Fe2O3 = 2.000Fe+3 - 6.000H+ + 3.000H2O log_k 3.310 #98DIA1 in 98CHI delta_h -149.690 #kJ/mol # Enthalpy of formation: -805.8 #kJ/mol -analytic -2.29145E+1 0E+0 7.81884E+3 0E+0 0E+0 Maghemite(ord) Fe2O3 = 2.000Fe+3 - 6.000H+ + 3.000H2O log_k 3.520 #98DIA1 in 98CHI delta_h -149.690 #kJ/mol # Enthalpy of formation: -805.8 #kJ/mol -analytic -2.27045E+1 0E+0 7.81884E+3 0E+0 0E+0 Magnesite(nat) MgCO3 = 1.000Mg+2 + 1.000CO3-2 log_k -8.910 delta_h -24.290 #kJ/mol # Enthalpy of formation: -1117.94 #kJ/mol #99KON/KON -analytic -1.31654E+1 0E+0 1.26875E+3 0E+0 0E+0 Magnesite(syn) Mg(CO3) = 1.000Mg+2 + 1.000CO3-2 log_k -8.100 delta_h -28.930 #kJ/mol # Enthalpy of formation: -1113.3 #kJ/mol #95ROB/HEM -analytic -1.31683E+1 0E+0 1.51112E+3 0E+0 0E+0 Magnetite Fe3O4 = 2.000Fe+3 + 1.000Fe+2 - 8.000H+ + 4.000H2O log_k 10.410 delta_h -215.920 #kJ/mol # Enthalpy of formation: -1115.4 #kJ/mol #88ONE -analytic -2.74175E+1 0E+0 1.12783E+4 0E+0 0E+0 Manganite MnOOH = 1.000Mn+2 - 2.000H+ + 1.500H2O + 0.250O2 log_k 3.775 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.775E+0 0E+0 0E+0 0E+0 0E+0 Margarite CaAl4Si2O10(OH)2 = 1.000Ca+2 + 4.000Al+3 - 14.000H+ + 2.000H4(SiO4) + 4.000H2O log_k 37.000 delta_h -518.308 #kJ/mol # Enthalpy of formation: -6244 #kJ/mol #95ROB/HEM -analytic -5.38035E+1 0E+0 2.70731E+4 0E+0 0E+0 Massicot PbO = 1.000Pb+2 - 2.000H+ + 1.000H2O log_k 12.740 delta_h -66.848 #kJ/mol # Enthalpy of formation: -218.062 #kJ/mol #98CHA -analytic 1.02875E+0 0E+0 3.49171E+3 0E+0 0E+0 Melanterite FeSO4:7H2O = 1.000Fe+2 + 1.000SO4-2 + 7.000H2O log_k -2.210 #90NOR/PLU delta_h 20.543 #kJ/mol # Enthalpy of formation: -3020.693 #kJ/mol -analytic 1.38897E+0 0E+0 -1.07303E+3 0E+0 0E+0 Mercallite KHSO4 = 1.000K+ + 1.000H+ + 1.000SO4-2 log_k -1.400 #84HAR/MOL delta_h -0.590 #kJ/mol # Enthalpy of formation: -1160.89 #kJ/mol #74NAU/RYZ -analytic -1.50336E+0 0E+0 3.08178E+1 0E+0 0E+0 Merlinoite_K K1.04Al1.04Si1.96O6:1.69H2O = 1.040K+ + 1.040Al+3 - 4.160H+ + 1.960H4(SiO4) - 0.150H2O log_k 9.490 delta_h -105.627 #kJ/mol # Enthalpy of formation: -3537.6 #kJ/mol #09BLA -analytic -9.01503E+0 0E+0 5.51727E+3 0E+0 0E+0 Merlinoite_Na Na1.04Al1.04Si1.96O6:2.27H2O = 1.040Na+ + 1.040Al+3 - 4.160H+ + 1.960H4(SiO4) + 0.430H2O log_k 10.300 delta_h -115.307 #kJ/mol # Enthalpy of formation: -3681.43 #kJ/mol #09BLA -analytic -9.90089E+0 0E+0 6.0229E+3 0E+0 0E+0 Mg(HPO4):3H2O(s) Mg(HPO4):3H2O = 1.000Mg+2 - 1.000H+ + 1.000H2(PO4)- + 3.000H2O log_k 1.410 #01WEN/MUS # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.41E+0 0E+0 0E+0 0E+0 0E+0 Mg(NO3)2(s) Mg(NO3)2 = 1.000Mg+2 + 2.000NO3- log_k 15.500 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.55E+1 0E+0 0E+0 0E+0 0E+0 Mg(NO3)2:6H2O(s) Mg(NO3)2:6H2O = 1.000Mg+2 + 2.000NO3- + 6.000H2O log_k 2.580 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.58E+0 0E+0 0E+0 0E+0 0E+0 Mg(SO4)(s) Mg(SO4) = 1.000Mg+2 + 1.000SO4-2 log_k 9.100 delta_h -114.550 #kJ/mol # Enthalpy of formation: -1261.79 #kJ/mol #98CHA -analytic -1.09683E+1 0E+0 5.98335E+3 0E+0 0E+0 Mg(SO4):H2O(s) Mg(SO4):H2O = 1.000Mg+2 + 1.000SO4-2 + 1.000H2O log_k -0.120 #84HAR/MOL delta_h -51.464 #kJ/mol # Enthalpy of formation: -1610.706 #kJ/mol -analytic -9.13609E+0 0E+0 2.68815E+3 0E+0 0E+0 Mg(SeO3):6H2O(s) Mg(SeO3):6H2O = 1.000Mg+2 + 1.000SeO3-2 + 6.000H2O log_k -5.820 #05OLI/NOL delta_h 18.070 #kJ/mol # Enthalpy of formation: -2707.21 #kJ/mol #05OLI/NOL -analytic -2.65428E+0 0E+0 -9.4386E+2 0E+0 0E+0 Mg(SeO4):6H2O(s) Mg(SeO4):6H2O = 1.000Mg+2 + 1.000SeO4-2 + 6.000H2O log_k -1.133 #05OLI/NOL delta_h -4.080 #kJ/mol # Enthalpy of formation: -2781.4 #kJ/mol #05OLI/NOL -analytic -1.84778E+0 0E+0 2.13113E+2 0E+0 0E+0 Mg(cr) Mg = 1.000Mg+2 + 1.000H2O - 2.000H+ - 0.500O2 log_k 122.770 delta_h -746.763 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #89COX/WAG -analytic -8.05707E+0 0E+0 3.90061E+4 0E+0 0E+0 Mg-oxychlorur Mg2Cl(OH)3:4H2O = 2.000Mg+2 - 3.000H+ + 1.000Cl- + 7.000H2O log_k 26.030 #84HAR/MOL delta_h -154.690 #kJ/mol # Enthalpy of formation: -2947.2 #kJ/mol #82WAG/EVA -analytic -1.07048E+0 0E+0 8.08001E+3 0E+0 0E+0 Mg3(PO4)2(cr) Mg3(PO4)2 = 3.000Mg+2 - 4.000H+ + 2.000H2(PO4)- log_k 15.820 #68RAC/SOP delta_h -214.093 #kJ/mol # Enthalpy of formation: -3792.107 #kJ/mol -analytic -2.16874E+1 0E+0 1.11828E+4 0E+0 0E+0 Mg3(PO4)2:22H2O(s) Mg3(PO4)2:22H2O = 3.000Mg+2 - 4.000H+ + 2.000H2(PO4)- + 22.000H2O log_k 16.000 #63TAY/FRA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0 Mg3(PO4)2:8H2O(s) Mg3(PO4)2:8H2O = 3.000Mg+2 - 4.000H+ + 2.000H2(PO4)- + 8.000H2O log_k 13.900 #63TAY/FRA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0 Mg5(CO3)4(OH)2:4H2O(s) Mg5(CO3)4(OH)2:4H2O = 5.000Mg+2 - 2.000H+ + 4.000CO3-2 + 6.000H2O log_k -10.310 delta_h -234.900 #kJ/mol # Enthalpy of formation: -6516 #kJ/mol #73ROB/HEM -analytic -5.14627E+1 0E+0 1.22697E+4 0E+0 0E+0 MgBr2(s) MgBr2 = 1.000Mg+2 + 2.000Br- log_k 27.800 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.78E+1 0E+0 0E+0 0E+0 0E+0 MgBr2:6H2O(s) MgBr2:6H2O = 1.000Mg+2 + 2.000Br- + 6.000H2O log_k 5.220 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.22E+0 0E+0 0E+0 0E+0 0E+0 MgCl2(s) MgCl2 = 1.000Mg+2 + 2.000Cl- log_k 22.030 delta_h -159.540 #kJ/mol # Enthalpy of formation: -641.62 #kJ/mol #98CHA -analytic -5.92017E+0 0E+0 8.33334E+3 0E+0 0E+0 MgCl2:2H2O(s) MgCl2:2H2O = 1.000Mg+2 + 2.000Cl- + 2.000H2O log_k 12.900 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0 MgCl2:4H2O(s) MgCl2:4H2O = 1.000Mg+2 + 2.000Cl- + 4.000H2O log_k 7.440 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 7.44E+0 0E+0 0E+0 0E+0 0E+0 MgCl2:H2O(s) MgCl2:H2O = 1.000Mg+2 + 2.000Cl- + 1.000H2O log_k 16.220 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.622E+1 0E+0 0E+0 0E+0 0E+0 MgCrO4(s) MgCrO4 = 1.000Mg+2 + 1.000CrO4-2 log_k -86.990 delta_h 437.600 #kJ/mol # Enthalpy of formation: -1783.6 #kJ/mol #95ROB/HEM -analytic -1.03259E+1 0E+0 -2.28574E+4 0E+0 0E+0 MgF2(cr) MgF2 = 1.000Mg+2 + 2.000F- log_k -9.220 #92GRE/FUG delta_h -13.500 #kJ/mol # Enthalpy of formation: -1124.2 #kJ/mol -analytic -1.15851E+1 0E+0 7.05153E+2 0E+0 0E+0 MgI2(s) MgI2 = 1.000Mg+2 + 2.000I- log_k 35.000 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.5E+1 0E+0 0E+0 0E+0 0E+0 MgMoO4(s) MgMoO4 = 1.000Mg+2 + 1.000MoO4-2 log_k -0.640 delta_h -62.967 #kJ/mol # Enthalpy of formation: -1401.033 #kJ/mol -analytic -1.16713E+1 0E+0 3.28899E+3 0E+0 0E+0 Microcline KAlSi3O8 = 1.000K+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O log_k 0.050 delta_h -56.463 #kJ/mol # Enthalpy of formation: -3974.34 #kJ/mol #99ARN/STE -analytic -9.84188E+0 0E+0 2.94926E+3 0E+0 0E+0 Millerite NiS = 1.000Ni+2 - 1.000H+ + 1.000HS- log_k -10.130 delta_h 22.688 #kJ/mol # Enthalpy of formation: -94 #kJ/mol #05GAM/BUG -analytic -6.15524E+0 0E+0 -1.18508E+3 0E+0 0E+0 Minium Pb3O4 = 3.000Pb+2 - 6.000H+ + 3.000H2O + 0.500O2 log_k 30.540 delta_h -142.111 #kJ/mol # Enthalpy of formation: -718.686 #kJ/mol -analytic 5.64326E+0 0E+0 7.42296E+3 0E+0 0E+0 Minnesotaite Fe3Si4O10(OH)2 = 3.000Fe+2 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O log_k 14.930 delta_h -148.466 #kJ/mol # Enthalpy of formation: -4822.99 #kJ/mol #83MIY/KLE -analytic -1.10801E+1 0E+0 7.75491E+3 0E+0 0E+0 Mirabilite Na2SO4:10H2O = 2.000Na+ + 1.000SO4-2 + 10.000H2O log_k -1.230 #84HAR/MOL delta_h 79.471 #kJ/mol # Enthalpy of formation: -4327.791 #kJ/mol -analytic 1.26927E+1 0E+0 -4.15105E+3 0E+0 0E+0 Mn(H2SiO4)(s) Mn(H2SiO4) = 1.000Mn+2 - 2.000H+ + 1.000H4(SiO4) log_k 12.440 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.244E+1 0E+0 0E+0 0E+0 0E+0 Mn(HPO4)(s) Mn(HPO4) = 1.000Mn+2 - 1.000H+ + 1.000H2(PO4)- log_k -5.740 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -5.74E+0 0E+0 0E+0 0E+0 0E+0 Mn(SO4)(s) Mn(SO4) = 1.000Mn+2 + 1.000SO4-2 log_k -2.680 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.68E+0 0E+0 0E+0 0E+0 0E+0 Mn(SeO3):2H2O(cr) Mn(SeO3):2H2O = 1.000Mn+2 + 1.000SeO3-2 + 2.000H2O log_k -7.600 #05OLI/NOL delta_h -18.920 #kJ/mol # Enthalpy of formation: -1280.7 #kJ/mol #05OLI/NOL -analytic -1.09146E+1 0E+0 9.88259E+2 0E+0 0E+0 #Mn(cr) #Mn = 1.000Mn+2 + 1.000H2O - 2.000H+ - 0.500O2 # log_k # delta_h 0.000 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA in 05OLI/NOL # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 Mn2(Pyrophos)(s) Mn2(Pyrophos) = 2.000Mn+2 + 1.000Pyrophos-4 log_k -19.500 #88CHA/NEW # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.95E+1 0E+0 0E+0 0E+0 0E+0 Mn3(PO4)2(s) Mn3(PO4)2 = 3.000Mn+2 - 4.000H+ + 2.000H2(PO4)- log_k 15.320 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.532E+1 0E+0 0E+0 0E+0 0E+0 Mn3(PO4)2:3H2O(s) Mn3(PO4)2:3H2O = 3.000Mn+2 - 4.000H+ + 2.000H2(PO4)- + 3.000H2O log_k 2.320 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.32E+0 0E+0 0E+0 0E+0 0E+0 MnCl2:2H2O(s) MnCl2:2H2O = 1.000Mn+2 + 2.000Cl- + 2.000H2O log_k 3.980 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.98E+0 0E+0 0E+0 0E+0 0E+0 MnCl2:4H2O(s) MnCl2:4H2O = 1.000Mn+2 + 2.000Cl- + 4.000H2O log_k 2.710 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.71E+0 0E+0 0E+0 0E+0 0E+0 MnCl2:H2O(s) MnCl2:H2O = 1.000Mn+2 + 2.000Cl- + 1.000H2O log_k 5.530 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.53E+0 0E+0 0E+0 0E+0 0E+0 MnO(s) MnO = 1.000Mn+2 - 2.000H+ + 1.000H2O log_k 17.900 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.79E+1 0E+0 0E+0 0E+0 0E+0 MnO2(s) MnO2 = 1.000Mn+2 - 2.000H+ + 1.000H2O + 0.500O2 log_k -0.990 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -9.9E-1 0E+0 0E+0 0E+0 0E+0 MnSe(alfa) MnSe = 1.000Mn+2 - 1.000H+ + 1.000HSe- log_k 0.300 delta_h -28.579 #kJ/mol # Enthalpy of formation: -177.921 #kJ/mol -analytic -4.70682E+0 0E+0 1.49278E+3 0E+0 0E+0 MnSe2(cr) MnSe2 = 1.000Mn+2 + 2.000HSe- - 1.000H2O + 0.500O2 log_k -51.140 delta_h 268.063 #kJ/mol # Enthalpy of formation: -180.5 #kJ/mol #05OLI/NOL -analytic -4.17745E+0 0E+0 -1.40019E+4 0E+0 0E+0 Mo(s) Mo = 2.000H+ + 1.000MoO4-2 - 1.000H2O - 1.500O2 log_k 109.390 delta_h -692.969 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA -analytic -1.20128E+1 0E+0 3.61962E+4 0E+0 0E+0 Mo3O8(s) Mo3O8 = 6.000H+ + 3.000MoO4-2 - 3.000H2O - 0.500O2 log_k -20.570 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.057E+1 0E+0 0E+0 0E+0 0E+0 MoO2(s) MoO2 = 2.000H+ + 1.000MoO4-2 - 1.000H2O - 0.500O2 log_k 13.110 delta_h -117.246 #kJ/mol # Enthalpy of formation: -587.857 #kJ/mol -analytic -7.43059E+0 0E+0 6.12418E+3 0E+0 0E+0 MoO3(s) MoO3 = 2.000H+ + 1.000MoO4-2 - 1.000H2O log_k -11.980 delta_h 34.001 #kJ/mol # Enthalpy of formation: -745.171 #kJ/mol -analytic -6.02329E+0 0E+0 -1.77599E+3 0E+0 0E+0 MoS2(s) MoS2 = 4.000H+ + 2.000HS- + 1.000MoO4-2 - 3.000H2O - 0.500O2 log_k -26.920 delta_h 105.752 #kJ/mol # Enthalpy of formation: -271.795 #kJ/mol -analytic -8.39307E+0 0E+0 -5.5238E+3 0E+0 0E+0 MoS3(s) MoS3 = 5.000H+ + 3.000HS- + 1.000MoO4-2 - 4.000H2O log_k -68.070 delta_h 354.849 #kJ/mol # Enthalpy of formation: -257.429 #kJ/mol -analytic -5.90321E+0 0E+0 -1.8535E+4 0E+0 0E+0 Monocarboaluminate (CaO)3Al2O3:CaCO3:10.68H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000CO3-2 + 16.680H2O log_k 70.300 #95DAM/GLA delta_h -515.924 #kJ/mol # Enthalpy of formation: -8175.75 #kJ/mol #10BLA/BOU2 -analytic -2.00859E+1 0E+0 2.69485E+4 0E+0 0E+0 Monosulfate-Fe Ca4Fe2(SO4)(OH)12:6H2O = 4.000Ca+2 + 2.000Fe+3 - 12.000H+ + 1.000SO4-2 + 18.000H2O log_k 66.050 #10BLA/BOU2 delta_h -477.312 #kJ/mol # Enthalpy of formation: -7846.968 #kJ/mol -analytic -1.75714E+1 0E+0 2.49317E+4 0E+0 0E+0 Monosulfoaluminate Ca4Al2(SO4)(OH)12:6H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000SO4-2 + 18.000H2O log_k 73.070 #10BLA/BOU2 delta_h -539.400 #kJ/mol # Enthalpy of formation: -8763.68 #kJ/mol #10BLA/BOU2 -analytic -2.14287E+1 0E+0 2.81748E+4 0E+0 0E+0 Montmorillonite-BCCa Ca0.17Mg0.34Al1.66Si4O10(OH)2 = 0.170Ca+2 + 0.340Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O log_k 4.200 delta_h -156.000 #kJ/mol # Enthalpy of formation: -5690.29 #kJ/mol #15BLA/VIE -analytic -2.313E+1 0E+0 8.14844E+3 0E+0 0E+0 Montmorillonite-BCK K0.34Mg0.34Al1.66Si4O10(OH)2 = 0.340Mg+2 + 0.340K+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O log_k 2.810 delta_h -136.198 #kJ/mol # Enthalpy of formation: -5703.51 #kJ/mol #15BLA/VIE -analytic -2.10508E+1 0E+0 7.11411E+3 0E+0 0E+0 Montmorillonite-BCMg Mg0.17Mg0.34Al1.66Si4O10(OH)2 = 0.510Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O log_k 3.690 delta_h -157.360 #kJ/mol # Enthalpy of formation: -5676.01 #kJ/mol #15BLA/VIE -analytic -2.38782E+1 0E+0 8.21947E+3 0E+0 0E+0 Montmorillonite-BCNa Na0.34Mg0.34Al1.66Si4O10(OH)2 = 0.340Mg+2 + 0.340Na+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O log_k 3.390 delta_h -145.286 #kJ/mol # Enthalpy of formation: -5690.41 #kJ/mol #15BLA/VIE -analytic -2.2063E+1 0E+0 7.58881E+3 0E+0 0E+0 Montmorillonite-HCCa Ca0.3Mg0.6Al1.4Si4O10(OH)2 = 0.300Ca+2 + 0.600Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O log_k 6.890 delta_h -163.896 #kJ/mol # Enthalpy of formation: -5734.42 #kJ/mol #15BLA/VIE -analytic -2.18233E+1 0E+0 8.56087E+3 0E+0 0E+0 Montmorillonite-HCK K0.6Mg0.6Al1.4Si4O10(OH)2 = 0.600Mg+2 + 0.600K+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O log_k 4.430 delta_h -128.960 #kJ/mol # Enthalpy of formation: -5757.74 #kJ/mol #15BLA/VIE -analytic -1.81628E+1 0E+0 6.73604E+3 0E+0 0E+0 Montmorillonite-HCMg Mg0.3Mg0.6Al1.4Si4O10(OH)2 = 0.900Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O log_k 5.980 delta_h -166.296 #kJ/mol # Enthalpy of formation: -5709.22 #kJ/mol #15BLA/VIE -analytic -2.31538E+1 0E+0 8.68623E+3 0E+0 0E+0 Montmorillonite-HCNa Na0.6Mg0.6Al1.4Si4O10(OH)2 = 0.600Mg+2 + 0.600Na+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O log_k 5.450 delta_h -144.990 #kJ/mol # Enthalpy of formation: -5734.63 #kJ/mol #15BLA/VIE -analytic -1.99511E+1 0E+0 7.57334E+3 0E+0 0E+0 Mordenite_Ca Ca0.515Al1.03Si4.97O12:3.1H2O = 0.515Ca+2 + 1.030Al+3 - 4.120H+ + 4.970H4(SiO4) - 4.780H2O log_k -2.920 #09BLA delta_h -74.768 #kJ/mol # Enthalpy of formation: -6655.295 #kJ/mol -analytic -1.60188E+1 0E+0 3.9054E+3 0E+0 0E+0 Mordenite_Oregon Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O = 0.289Ca+2 + 0.362Na+ + 0.940Al+3 - 3.760H+ + 5.060H4(SiO4) - 4.772H2O log_k -4.160 delta_h -41.247 #kJ/mol # Enthalpy of formation: -6738.44 #kJ/mol #92JOH/TAS -analytic -1.13862E+1 0E+0 2.15448E+3 0E+0 0E+0 Muscovite KAl3Si3O10(OH)2 = 1.000K+ + 3.000Al+3 - 10.000H+ + 3.000H4(SiO4) log_k 13.040 delta_h -276.122 #kJ/mol # Enthalpy of formation: -5974.8 #kJ/mol #95HAS/CYG -analytic -3.53344E+1 0E+0 1.44228E+4 0E+0 0E+0 Na(NO3)(s) Na(NO3) = 1.000Na+ + 1.000NO3- log_k 1.090 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.09E+0 0E+0 0E+0 0E+0 0E+0 Na(TcO4):4H2O(s) Na(TcO4):4H2O = 1.000Na+ + 1.000TcO4- + 4.000H2O log_k 0.790 #99RAR/RAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 7.9E-1 0E+0 0E+0 0E+0 0E+0 Na(cr) Na = 1.000Na+ + 0.500H2O - 1.000H+ - 0.250O2 log_k 67.385 delta_h -380.222 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG (89COX/WAG) -analytic 7.7315E-1 0E+0 1.98603E+4 0E+0 0E+0 Na2(CO3)(cr) Na2(CO3) = 2.000Na+ + 1.000CO3-2 log_k 1.120 delta_h -26.710 #kJ/mol # Enthalpy of formation: -1129.2 #kJ/mol #95ROB/HEM -analytic -3.55938E+0 0E+0 1.39516E+3 0E+0 0E+0 Na2B4O7(cr) Na2B4O7 = 2.000Na+ + 2.000H+ + 4.000B(OH)4- - 9.000H2O log_k -16.060 delta_h 2.534 #kJ/mol # Enthalpy of formation: -3291.208 #kJ/mol -analytic -1.56161E+1 0E+0 -1.3236E+2 0E+0 0E+0 Na2B4O7:10H2O(s) Na2B4O7:10H2O = 2.000Na+ + 2.000H+ + 4.000B(OH)4- + 1.000H2O log_k -24.580 delta_h 141.721 #kJ/mol # Enthalpy of formation: -6288.445 #kJ/mol -analytic 2.48417E-1 0E+0 -7.40259E+3 0E+0 0E+0 Na2CO3:7H2O(s) Na2CO3:7H2O = 2.000Na+ + 1.000CO3-2 + 7.000H2O log_k -0.460 #84HAR/MOL delta_h 42.682 #kJ/mol # Enthalpy of formation: -3199.402 #kJ/mol -analytic 7.01755E+0 0E+0 -2.22943E+3 0E+0 0E+0 Na2HPO4(cr) Na2HPO4 = 2.000Na+ - 1.000H+ + 1.000H2(PO4)- log_k 9.240 delta_h -35.180 #kJ/mol # Enthalpy of formation: -1748.1 #kJ/mol #82WAG/EVA -analytic 3.07674E+0 0E+0 1.83758E+3 0E+0 0E+0 Na2O(cr) Na2O = 2.000Na+ - 2.000H+ + 1.000H2O log_k 67.460 delta_h -351.710 #kJ/mol # Enthalpy of formation: -414.8 #kJ/mol #95ROB/HEM -analytic 5.84314E+0 0E+0 1.83711E+4 0E+0 0E+0 Na2ZrSi2O7(cr) Na2ZrSi2O7 = 2.000Na+ - 6.000H+ + 2.000H4(SiO4) + 1.000Zr+4 - 1.000H2O log_k 3.740 delta_h -119.738 #kJ/mol # Enthalpy of formation: -3606 #kJ/mol #05BRO/CUR -analytic -1.72372E+1 0E+0 6.25434E+3 0E+0 0E+0 Na2ZrSi3O9:2H2O(cr) Na2ZrSi3O9:2H2O = 2.000Na+ - 6.000H+ + 3.000H4(SiO4) + 1.000Zr+4 - 1.000H2O log_k 15.580 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.558E+1 0E+0 0E+0 0E+0 0E+0 Na2ZrSi4O11(cr) Na2ZrSi4O11 = 2.000Na+ - 6.000H+ + 4.000H4(SiO4) + 1.000Zr+4 - 5.000H2O log_k -13.560 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.356E+1 0E+0 0E+0 0E+0 0E+0 Na2ZrSi6O15:3H2O(cr) Na2ZrSi6O15:3H2O = 2.000Na+ - 6.000H+ + 6.000H4(SiO4) + 1.000Zr+4 - 6.000H2O log_k 16.460 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.646E+1 0E+0 0E+0 0E+0 0E+0 Na2ZrSiO5(cr) Na2ZrSiO5 = 2.000Na+ - 6.000H+ + 1.000H4(SiO4) + 1.000Zr+4 + 1.000H2O log_k 13.190 delta_h -166.204 #kJ/mol # Enthalpy of formation: -2670 #kJ/mol #05BRO/CUR -analytic -1.59276E+1 0E+0 8.68143E+3 0E+0 0E+0 Na3PO4(cr) Na3PO4 = 3.000Na+ - 2.000H+ + 1.000H2(PO4)- log_k 23.520 delta_h -106.218 #kJ/mol # Enthalpy of formation: -1917.402 #kJ/mol #74NAU/RYZ -analytic 4.91143E+0 0E+0 5.54814E+3 0E+0 0E+0 Na4Zr2Si3O12(cr) Na4Zr2Si3O12 = 4.000Na+ - 12.000H+ + 3.000H4(SiO4) + 2.000Zr+4 log_k 15.510 delta_h -276.942 #kJ/mol # Enthalpy of formation: -6285 #kJ/mol #05BRO/CUR -analytic -3.30081E+1 0E+0 1.44657E+4 0E+0 0E+0 Na6Th(CO3)5:12H2O(cr) Na6Th(CO3)5:12H2O = 6.000Na+ + 1.000Th+4 + 5.000CO3-2 + 12.000H2O log_k -42.200 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.22E+1 0E+0 0E+0 0E+0 0E+0 NaAmO2CO3(s) NaAmO2CO3 = 1.000Na+ + 1.000AmO2+ + 1.000CO3-2 log_k -10.900 #94GIF, 94RUN/KIM, 96RUN/NEU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.09E+1 0E+0 0E+0 0E+0 0E+0 NaBO2(s) NaBO2 = 1.000Na+ + 1.000B(OH)4- - 2.000H2O log_k 3.620 delta_h -36.790 #kJ/mol # Enthalpy of formation: -977.006 #kJ/mol -analytic -2.82532E+0 0E+0 1.92167E+3 0E+0 0E+0 NaCm(CO3)2:5H2O(s) NaCm(CO3)2:5H2O = 1.000Na+ + 2.000CO3-2 + 1.000Cm+3 + 5.000H2O log_k -21.000 #estimated by correlation with Ln(III) and An(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0 NaEu(CO3)2:5H2O(s) NaEu(CO3)2:5H2O = 1.000Na+ + 1.000Eu+3 + 2.000CO3-2 + 5.000H2O log_k -20.900 #05VER/VIT2 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.09E+1 0E+0 0E+0 0E+0 0E+0 NaF(s) NaF = 1.000Na+ + 1.000F- log_k -0.480 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.8E-1 0E+0 0E+0 0E+0 0E+0 NaH2PO4(cr) NaH2PO4 = 1.000Na+ + 1.000H2(PO4)- log_k 2.300 delta_h -6.140 #kJ/mol # Enthalpy of formation: -1536.8 #kJ/mol #82WAG/EVA -analytic 1.22432E+0 0E+0 3.20714E+2 0E+0 0E+0 NaHo(CO3)2:5H2O(s) NaHo(CO3)2:5H2O = 1.000Na+ + 1.000Ho+3 + 2.000CO3-2 + 5.000H2O log_k -20.500 #Estimated by ionic radii correlation # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.05E+1 0E+0 0E+0 0E+0 0E+0 NaNbO3(s) NaNbO3 = 1.000Na+ + 1.000Nb(OH)6- - 3.000H2O log_k -3.660 delta_h 7.504 #kJ/mol # Enthalpy of formation: -1316.013 #kJ/mol -analytic -2.34536E+0 0E+0 -3.91961E+2 0E+0 0E+0 NaSm(CO3)2:5H2O(s) NaSm(CO3)2:5H2O = 1.000Na+ + 1.000Sm+3 + 2.000CO3-2 + 5.000H2O log_k -20.990 #Estimated by ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.099E+1 0E+0 0E+0 0E+0 0E+0 Nahcolite Na(HCO3) = 1.000Na+ + 1.000H+ + 1.000CO3-2 log_k -10.740 #84HAR/MOL delta_h 33.430 #kJ/mol # Enthalpy of formation: -949 #kJ/mol #82VAN -analytic -4.88332E+0 0E+0 -1.74617E+3 0E+0 0E+0 Natrolite Na2(Al2Si3)O10:2H2O = 2.000Na+ + 2.000Al+3 - 8.000H+ + 3.000H4(SiO4) log_k 19.330 delta_h -222.462 #kJ/mol # Enthalpy of formation: -5718.6 #kJ/mol #83JOH/FLO -analytic -1.96436E+1 0E+0 1.162E+4 0E+0 0E+0 Natron Na2(CO3):10H2O = 2.000Na+ + 1.000CO3-2 + 10.000H2O log_k -0.830 #84HAR/MOL delta_h 64.870 #kJ/mol # Enthalpy of formation: -4079 #kJ/mol -analytic 1.05347E+1 0E+0 -3.38839E+3 0E+0 0E+0 Nb(cr) Nb = 1.000H+ + 1.000Nb(OH)6- - 3.500H2O - 1.250O2 log_k 149.295 delta_h -910.093 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA -analytic -1.01461E+1 0E+0 4.75374E+4 0E+0 0E+0 Nb2O5(s) Nb2O5 = 2.000H+ + 2.000Nb(OH)6- - 7.000H2O log_k -28.380 #97PEI/NGU delta_h 52.400 #kJ/mol #97PEI/NGU # Enthalpy of formation: -1902.92 #kJ/mol -analytic -1.91999E+1 0E+0 -2.73704E+3 0E+0 0E+0 Nesquehonite Mg(CO3):3H2O = 1.000Mg+2 + 1.000CO3-2 + 3.000H2O log_k -5.100 delta_h -22.420 #kJ/mol # Enthalpy of formation: -1977.3 #kJ/mol #73ROB/HEM -analytic -9.02781E+0 0E+0 1.17108E+3 0E+0 0E+0 Ni(BO2)2(s) Ni(BO2)2 = 1.000Ni+2 + 2.000B(OH)4- - 4.000H2O log_k -8.700 #92PEA/BER # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -8.7E+0 0E+0 0E+0 0E+0 0E+0 #Ni(CO3)(cr) #Ni(CO3) = 1.000Ni+2 + 1.000CO3-2 # log_k # delta_h 0.000 #kJ/mol # Enthalpy of formation: -713.32 #kJ/mol #05GAM/BUG # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 Ni(CO3):5.5H2O(cr) Ni(CO3):5.5H2O = 1.000Ni+2 + 1.000CO3-2 + 5.500H2O log_k -7.520 delta_h 10.685 #kJ/mol # Enthalpy of formation: -2312.992 #kJ/mol #05GAM/BUG -analytic -5.64807E+0 0E+0 -5.58116E+2 0E+0 0E+0 Ni(IO3)2(beta) Ni(IO3)2 = 1.000Ni+2 + 2.000IO3- log_k -4.430 delta_h -7.300 #kJ/mol #05GAM/BUG # Enthalpy of formation: -487.112 #kJ/mol -analytic -5.7089E+0 0E+0 3.81305E+2 0E+0 0E+0 Ni(IO3)2:2H2O(cr) Ni(IO3)2:2H2O = 1.000Ni+2 + 2.000IO3- + 2.000H2O log_k -5.140 delta_h 21.600 #kJ/mol #05GAM/BUG # Enthalpy of formation: -1087.672 #kJ/mol -analytic -1.35585E+0 0E+0 -1.12824E+3 0E+0 0E+0 Ni(OH)2(s) Ni(OH)2 = 1.000Ni+2 - 2.000H+ + 2.000H2O log_k 11.030 delta_h -84.390 #kJ/mol # Enthalpy of formation: -542.3 #kJ/mol #05GAM/BUG -analytic -3.75447E+0 0E+0 4.40799E+3 0E+0 0E+0 Ni(SO4)(cr) Ni(SO4) = 1.000Ni+2 + 1.000SO4-2 log_k 4.750 #05GAM/BUG delta_h -91.072 #kJ/mol # Enthalpy of formation: -873.28 #kJ/mol #05GAM/BUG -analytic -1.12051E+1 0E+0 4.75701E+3 0E+0 0E+0 Ni(SO4):6H2O(s) Ni(SO4):6H2O = 1.000Ni+2 + 1.000SO4-2 + 6.000H2O log_k -2.250 #05GAM/BUG delta_h 4.485 #kJ/mol #05GAM/BUG # Enthalpy of formation: -2683.817 #kJ/mol -analytic -1.46426E+0 0E+0 -2.34268E+2 0E+0 0E+0 Ni(SO4):7H2O(s) Ni(SO4):7H2O = 1.000Ni+2 + 1.000SO4-2 + 7.000H2O log_k -2.270 #05GAM/BUG delta_h 12.167 #kJ/mol #05GAM/BUG # Enthalpy of formation: -2977.329 #kJ/mol -analytic -1.38436E-1 0E+0 -6.35526E+2 0E+0 0E+0 Ni(SeO3):2H2O(cr) Ni(SeO3):2H2O = 1.000Ni+2 + 1.000SeO3-2 + 2.000H2O log_k -5.800 #05OLI/NOL delta_h -24.502 #kJ/mol # Enthalpy of formation: -1109.33 #kJ/mol #05OLI/NOL -analytic -1.00926E+1 0E+0 1.27983E+3 0E+0 0E+0 Ni(SeO4):6H2O(s) Ni(SeO4):6H2O = 1.000Ni+2 + 1.000SeO4-2 + 6.000H2O log_k -1.381 #05OLI/NOL delta_h -3.787 #kJ/mol # Enthalpy of formation: -2369.705 #kJ/mol -analytic -2.04445E+0 0E+0 1.97808E+2 0E+0 0E+0 #Ni(SiO3)(s) #Ni(SiO3) = 1.000Ni+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O # log_k # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 Ni(s) Ni = 1.000Ni+2 + 1.000H2O - 2.000H+ - 0.500O2 log_k 51.010 delta_h -334.775 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #05GAM/BUG -analytic -7.63998E+0 0E+0 1.74865E+4 0E+0 0E+0 Ni0.88Se(cr) Ni0.88Se = 0.880Ni+2 - 0.760H+ + 1.000HSe- - 0.120H2O + 0.060O2 log_k -17.919 delta_h 69.261 #kJ/mol # Enthalpy of formation: -69.8 #kJ/mol #05OLI/NOL -analytic -5.78489E+0 0E+0 -3.61773E+3 0E+0 0E+0 Ni11As8(cr) Ni11As8 = 11.000Ni+2 + 2.000H+ + 8.000AsO4-3 - 1.000H2O - 15.500O2 log_k 874.760 delta_h -6493.345 #kJ/mol # Enthalpy of formation: -743 #kJ/mol #05GAM/BUG -analytic -2.62824E+2 0E+0 3.39171E+5 0E+0 0E+0 Ni2(Pyrophos)(cr) Ni2(Pyrophos) = 2.000Ni+2 + 1.000Pyrophos-4 log_k -9.820 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -9.82E+0 0E+0 0E+0 0E+0 0E+0 Ni3(AsO3)2(s) Ni3(AsO3)2 = 3.000Ni+2 + 2.000AsO4-3 - 1.000O2 log_k 34.500 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.45E+1 0E+0 0E+0 0E+0 0E+0 Ni3(AsO4)2:8H2O(s) Ni3(AsO4)2:8H2O = 3.000Ni+2 + 2.000AsO4-3 + 8.000H2O log_k -28.100 #05GAM/BUG delta_h -48.956 #kJ/mol # Enthalpy of formation: -4179 #kJ/mol #05GAM/BUG -analytic -3.66767E+1 0E+0 2.55715E+3 0E+0 0E+0 Ni3(PO4)2(cr) Ni3(PO4)2 = 3.000Ni+2 - 4.000H+ + 2.000H2(PO4)- log_k 10.253 delta_h -188.236 #kJ/mol # Enthalpy of formation: -2582 #kJ/mol #89BAE/McK -analytic -2.27245E+1 0E+0 9.83224E+3 0E+0 0E+0 #Ni3O4(s) #Ni3O4 = 3.000Ni+2 - 6.000H+ + 3.000H2O + 0.500O2 # log_k # delta_h 0.000 #kJ/mol # Enthalpy of formation: -819.308 #kJ/mol # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 Ni5As2(cr) Ni5As2 = 5.000Ni+2 - 4.000H+ + 2.000AsO4-3 + 2.000H2O - 5.000O2 log_k 323.170 delta_h -2317.670 #kJ/mol # Enthalpy of formation: -244.66 #kJ/mol #05GAM/BUG -analytic -8.28678E+1 0E+0 1.2106E+5 0E+0 0E+0 NiAs(cr) NiAs = 1.000Ni+2 + 1.000H+ + 1.000AsO4-3 - 0.500H2O - 1.750O2 log_k 94.225 delta_h -708.183 #kJ/mol # Enthalpy of formation: -70.82 #kJ/mol #05GAM/BUG -analytic -2.98431E+1 0E+0 3.69909E+4 0E+0 0E+0 NiBr2(s) NiBr2 = 1.000Ni+2 + 2.000Br- log_k 10.170 delta_h -84.332 #kJ/mol # Enthalpy of formation: -213.5 #kJ/mol #05GAM/BUG -analytic -4.60431E+0 0E+0 4.40496E+3 0E+0 0E+0 NiCl2(s) NiCl2 = 1.000Ni+2 + 2.000Cl- log_k 8.670 delta_h -84.272 #kJ/mol # Enthalpy of formation: -304.9 #kJ/mol #05GAM/BUG -analytic -6.0938E+0 0E+0 4.40183E+3 0E+0 0E+0 NiCl2:2H2O(s) NiCl2:2H2O = 1.000Ni+2 + 2.000Cl- + 2.000H2O log_k 4.920 delta_h -47.461 #kJ/mol # Enthalpy of formation: -913.371 #kJ/mol -analytic -3.3948E+0 0E+0 2.47906E+3 0E+0 0E+0 NiCl2:4H2O(s) NiCl2:4H2O = 1.000Ni+2 + 2.000Cl- + 4.000H2O log_k 3.820 delta_h -18.444 #kJ/mol #05GAM/BUG # Enthalpy of formation: -1514.048 #kJ/mol -analytic 5.88755E-1 0E+0 9.63396E+2 0E+0 0E+0 NiCl2:6H2O(s) NiCl2:6H2O = 1.000Ni+2 + 2.000Cl- + 6.000H2O log_k 3.040 delta_h 0.548 #kJ/mol # Enthalpy of formation: -2104.7 #kJ/mol #05GAM/BUG -analytic 3.13601E+0 0E+0 -2.8624E+1 0E+0 0E+0 NiF2(s) NiF2 = 1.000Ni+2 + 2.000F- log_k -0.180 delta_h -68.412 #kJ/mol # Enthalpy of formation: -657.3 #kJ/mol #05GAM/BUG -analytic -1.21653E+1 0E+0 3.5734E+3 0E+0 0E+0 NiI2(s) NiI2 = 1.000Ni+2 + 2.000I- log_k 9.610 delta_h -72.152 #kJ/mol # Enthalpy of formation: -96.42 #kJ/mol #05GAM/BUG -analytic -3.03047E+0 0E+0 3.76876E+3 0E+0 0E+0 NiSe2(cr) NiSe2 = 1.000Ni+2 + 2.000HSe- - 1.000H2O + 0.500O2 log_k -69.890 delta_h 368.851 #kJ/mol # Enthalpy of formation: -115.5 #kJ/mol #05OLI/NOL -analytic -5.27017E+0 0E+0 -1.92664E+4 0E+0 0E+0 Nontronite-Ca Ca0.17Fe1.67Al0.67Si3.66O10(OH)2 = 0.170Ca+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O log_k -2.830 delta_h -145.927 #kJ/mol # Enthalpy of formation: -4982.32 #kJ/mol #15BLA/VIE -analytic -2.83953E+1 0E+0 7.62229E+3 0E+0 0E+0 Nontronite-K K0.34Fe1.67Al0.67Si3.66O10(OH)2 = 0.340K+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O log_k -4.000 delta_h -127.394 #kJ/mol # Enthalpy of formation: -4994.27 #kJ/mol #15BLA/VIE -analytic -2.63184E+1 0E+0 6.65424E+3 0E+0 0E+0 Nontronite-Mg Mg0.17Fe1.67Al0.67Si3.66O10(OH)2 = 0.170Mg+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O log_k -3.370 delta_h -147.107 #kJ/mol # Enthalpy of formation: -4968.22 #kJ/mol #15BLA/VIE -analytic -2.9142E+1 0E+0 7.68392E+3 0E+0 0E+0 Nontronite-Na Na0.34Fe1.67Al0.67Si3.66O10(OH)2 = 0.340Na+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O log_k -3.500 delta_h -136.012 #kJ/mol # Enthalpy of formation: -4981.64 #kJ/mol #15BLA/VIE -analytic -2.73282E+1 0E+0 7.10439E+3 0E+0 0E+0 Nontronite_Nau-2 Ca0.247K0.02(Si3.458Al0.542)(Fe1.688Al0.276Mg0.068)O10(OH)2 = 0.247Ca+2 + 0.068Mg+2 + 0.020K+ + 1.688Fe+3 + 0.818Al+3 + 3.458H4(SiO4) - 1.832H2O - 8.168H+ log_k 1.350 delta_h -187.521 #kJ/mol # Enthalpy of formation: -5035.69 #kJ/mol #13GAI/BLA -analytic -3.15022E+1 0E+0 9.79489E+3 0E+0 0E+0 Np(CO3)(OH)(s) Np(CO3)(OH) = 1.000Np+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O log_k -6.060 #Estimated by correlation with An(III) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6.06E+0 0E+0 0E+0 0E+0 0E+0 Np(HPO4)2(s) Np(HPO4)2 = 1.000Np+4 - 2.000H+ + 2.000H2(PO4)- log_k -16.060 #Estimated by correlation with An(III) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.606E+1 0E+0 0E+0 0E+0 0E+0 Np(OH)3(s) Np(OH)3 = 1.000Np+3 - 3.000H+ + 3.000H2O log_k 18.000 #80ALL/KIP # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.8E+1 0E+0 0E+0 0E+0 0E+0 Np(cr) Np = 1.000Np+3 + 1.500H2O - 3.000H+ - 0.750O2 log_k 154.335 delta_h -946.829 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #01LEM/FUG -analytic -1.1542E+1 0E+0 4.94562E+4 0E+0 0E+0 Np2O5(cr) Np2O5 = 2.000NpO2+ - 2.000H+ + 1.000H2O log_k 3.700 delta_h -79.492 #kJ/mol # Enthalpy of formation: -2162.7 #kJ/mol #01LEM/FUG -analytic -1.02264E+1 0E+0 4.15215E+3 0E+0 0E+0 NpO2(CO3)(s) NpO2(CO3) = 1.000NpO2+2 + 1.000CO3-2 log_k -14.600 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.46E+1 0E+0 0E+0 0E+0 0E+0 NpO2(CO3)2Na3(s) NpO2(CO3)2Na3 = 3.000Na+ + 1.000NpO2+ + 2.000CO3-2 log_k -14.220 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.422E+1 0E+0 0E+0 0E+0 0E+0 NpO2(CO3)Na:3.5H2O(s) NpO2(CO3)Na:3.5H2O = 1.000Na+ + 1.000NpO2+ + 1.000CO3-2 + 3.500H2O log_k -11.000 #03GUI/FAN delta_h 30.995 #kJ/mol # Enthalpy of formation: -2925.151 #kJ/mol -analytic -5.56992E+0 0E+0 -1.61898E+3 0E+0 0E+0 NpO2(NH4)4(CO3)3(s) NpO2(NH4)4(CO3)3 = 1.000NpO2+2 + 4.000H+ + 3.000CO3-2 + 4.000NH3 log_k -26.810 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.681E+1 0E+0 0E+0 0E+0 0E+0 NpO2(s) NpO2 = 1.000Np+4 - 4.000H+ + 2.000H2O log_k -9.750 delta_h -53.682 #kJ/mol # Enthalpy of formation: -1074 #kJ/mol #01LEM/FUG -analytic -1.91547E+1 0E+0 2.804E+3 0E+0 0E+0 NpO2:2H2O(am) NpO2:2H2O = 1.000Np+4 - 4.000H+ + 4.000H2O log_k -0.700 #03GUI/FAN delta_h -81.156 #kJ/mol # Enthalpy of formation: -1618.186 #kJ/mol -analytic -1.49179E+1 0E+0 4.23907E+3 0E+0 0E+0 NpO2OH(am,aged) NpO2OH = 1.000NpO2+ - 1.000H+ + 1.000H2O log_k 4.700 #01LEM/FUG delta_h -41.111 #kJ/mol # Enthalpy of formation: -1222.9 #kJ/mol #01LEM/FUG -analytic -2.50233E+0 0E+0 2.14737E+3 0E+0 0E+0 NpO2OH(am,fresh) NpO2OH = 1.000NpO2+ - 1.000H+ + 1.000H2O log_k 5.300 #01LEM/FUG delta_h -41.111 #kJ/mol # Enthalpy of formation: -1222.9 #kJ/mol #01LEM/FUG -analytic -1.90233E+0 0E+0 2.14737E+3 0E+0 0E+0 NpO3:H2O(cr) NpO3:H2O = 1.000NpO2+2 - 2.000H+ + 2.000H2O log_k 5.470 #01LEM/FUG delta_h -52.240 #kJ/mol # Enthalpy of formation: -1380.153 #kJ/mol -analytic -3.68204E+0 0E+0 2.72868E+3 0E+0 0E+0 Okenite CaSi2O5:2H2O = 1.000Ca+2 - 2.000H+ + 2.000H4(SiO4) - 1.000H2O log_k 9.180 delta_h -44.388 #kJ/mol # Enthalpy of formation: -3135.17 #kJ/mol #10BLA/BOU1 -analytic 1.40357E+0 0E+0 2.31854E+3 0E+0 0E+0 #Olivine #Ni2(SiO4) = 2.000Ni+2 - 4.000H+ + 1.000H4(SiO4) # log_k # delta_h 0.000 #kJ/mol # Enthalpy of formation: -1396 #kJ/mol #05GAM/BUG # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 Orpiment As2S3 = 9.000H+ + 3.000HS- + 2.000AsO4-3 - 6.000H2O - 1.000O2 log_k -41.480 delta_h -6.843 #kJ/mol # Enthalpy of formation: -91.223 #kJ/mol -analytic -4.26788E+1 0E+0 3.57434E+2 0E+0 0E+0 P(cr) P = 1.000H+ + 1.000H2(PO4)- - 1.500H2O - 1.250O2 log_k 140.515 delta_h -858.688 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #89COX/WAG -analytic -9.92037E+0 0E+0 4.48523E+4 0E+0 0E+0 Pa(cr) Pa = 1.000Pa+4 + 2.000H2O - 4.000H+ - 1.000O2 log_k 184.730 delta_h -1179.526 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #85BAR/PAR -analytic -2.19138E+1 0E+0 6.16108E+4 0E+0 0E+0 Pa2O5(s) Pa2O5 = - 2.000H+ + 2.000PaO2+ + 1.000H2O log_k -4.000 #76BAE/MES # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4E+0 0E+0 0E+0 0E+0 0E+0 PaO2(s) PaO2 = - 4.000H+ + 1.000Pa+4 + 2.000H2O log_k 0.600 #76BAE/MES # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6E-1 0E+0 0E+0 0E+0 0E+0 Paragonite NaAl3Si3O10(OH)2 = 1.000Na+ + 3.000Al+3 - 10.000H+ + 3.000H4(SiO4) log_k 16.800 delta_h -301.622 #kJ/mol # Enthalpy of formation: -5937.5 #kJ/mol #96ROU/HOV -analytic -3.60418E+1 0E+0 1.57548E+4 0E+0 0E+0 Paralaurionite PbCl(OH) = 1.000Pb+2 - 1.000H+ + 1.000Cl- + 1.000H2O log_k 0.620 #99LOT/OCH # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 6.2E-1 0E+0 0E+0 0E+0 0E+0 Pb(H2PO4)2(cr) Pb(H2PO4)2 = 1.000Pb+2 + 2.000H2(PO4)- log_k -9.840 #74NRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -9.84E+0 0E+0 0E+0 0E+0 0E+0 Pb(HPO4)(s) Pb(HPO4) = 1.000Pb+2 - 1.000H+ + 1.000H2(PO4)- log_k -4.250 #74NRI delta_h 16.436 #kJ/mol # Enthalpy of formation: -1318.116 #kJ/mol -analytic -1.37054E+0 0E+0 -8.58511E+2 0E+0 0E+0 Pb(OH)2(s) Pb(OH)2 = 1.000Pb+2 - 2.000H+ + 2.000H2O log_k 13.510 delta_h -56.140 #kJ/mol # Enthalpy of formation: -514.6 #kJ/mol #52LAT -analytic 3.67471E+0 0E+0 2.93239E+3 0E+0 0E+0 Pb(SeO3)(s) Pb(SeO3) = 1.000Pb+2 + 1.000SeO3-2 log_k -12.500 #05OLI/NOL delta_h 25.840 #kJ/mol # Enthalpy of formation: -532.08 #kJ/mol #05OLI/NOL -analytic -7.97303E+0 0E+0 -1.34972E+3 0E+0 0E+0 Pb(SeO4)(s) Pb(SeO4) = 1.000Pb+2 + 1.000SeO4-2 log_k -6.900 #05OLI/NOL delta_h 4.720 #kJ/mol #05OLI/NOL # Enthalpy of formation: -607.3 #kJ/mol -analytic -6.07309E+0 0E+0 -2.46542E+2 0E+0 0E+0 Pb(cr) Pb = 1.000Pb+2 + 1.000H2O - 2.000H+ - 0.500O2 log_k 47.240 delta_h -278.843 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #89COX/WAG -analytic -1.61112E+0 0E+0 1.4565E+4 0E+0 0E+0 Pb2(SiO4)(s) Pb2(SiO4) = 2.000Pb+2 - 4.000H+ + 1.000H4(SiO4) log_k 15.890 delta_h -81.474 #kJ/mol # Enthalpy of formation: -1377.88 #kJ/mol #98CHA -analytic 1.61639E+0 0E+0 4.25568E+3 0E+0 0E+0 Pb3(AsO4)2(s) Pb3(AsO4)2 = 3.000Pb+2 + 2.000AsO4-3 log_k -35.400 #74NAU/RYZ # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.54E+1 0E+0 0E+0 0E+0 0E+0 Pb3(PO4)2(s) Pb3(PO4)2 = 3.000Pb+2 - 4.000H+ + 2.000H2(PO4)- log_k -5.260 #74NRI delta_h -3.548 #kJ/mol # Enthalpy of formation: -2598.892 #kJ/mol -analytic -5.88158E+0 0E+0 1.85325E+2 0E+0 0E+0 Pb4O(PO4)2(cr) Pb4O(PO4)2 = 4.000Pb+2 - 6.000H+ + 2.000H2(PO4)- + 1.000H2O log_k 2.240 #74NRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.24E+0 0E+0 0E+0 0E+0 0E+0 PbB2O4(s) PbB2O4 = 1.000Pb+2 + 2.000B(OH)4- - 4.000H2O log_k -10.870 #91BAL/NOR delta_h 2.761 #kJ/mol #91BAL/NOR # Enthalpy of formation: -1548.753 #kJ/mol -analytic -1.03863E+1 0E+0 -1.44217E+2 0E+0 0E+0 PbF2(s) PbF2 = 1.000Pb+2 + 2.000F- log_k -7.520 #99LOT/OCH delta_h 6.530 #kJ/mol # Enthalpy of formation: -676.31 #kJ/mol -analytic -6.37599E+0 0E+0 -3.41085E+2 0E+0 0E+0 PbI2(cr) PbI2 = 1.000Pb+2 + 2.000I- log_k -8.050 delta_h 62.801 #kJ/mol # Enthalpy of formation: -175.441 #kJ/mol -analytic 2.95225E+0 0E+0 -3.28032E+3 0E+0 0E+0 PbMoO4(s) PbMoO4 = 1.000Pb+2 + 1.000MoO4-2 log_k -15.800 delta_h 55.795 #kJ/mol # Enthalpy of formation: -1051.875 #kJ/mol -analytic -6.02515E+0 0E+0 -2.91437E+3 0E+0 0E+0 PbSiO3(Glass) PbSiO3 = 1.000Pb+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O log_k 6.600 delta_h -36.814 #kJ/mol # Enthalpy of formation: -1137.63 #kJ/mol #74NAU/RYZ -analytic 1.50474E-1 0E+0 1.92293E+3 0E+0 0E+0 Pd(OH)2(s) Pd(OH)2 = - 2.000H+ + 1.000Pd+2 + 2.000H2O log_k -1.610 #70NAB/KAL delta_h 13.223 #kJ/mol # Enthalpy of formation: -395 #kJ/mol #82WAG/EVA -analytic 7.06567E-1 0E+0 -6.90684E+2 0E+0 0E+0 Pd(cr) Pd = 1.000Pd+2 + 1.000H2O - 2.000H+ - 0.500O2 log_k 9.960 #43TEM/WAT delta_h -89.880 #kJ/mol # Enthalpy of formation: 0 #kJ/mol -analytic -5.78628E+0 0E+0 4.69475E+3 0E+0 0E+0 PdBr2(cr) PdBr2 = 1.000Pd+2 + 2.000Br- log_k -13.310 #89BAE/McK delta_h 51.263 #kJ/mol # Enthalpy of formation: -104.2 #kJ/mol #89BAE/McK -analytic -4.32912E+0 0E+0 -2.67765E+3 0E+0 0E+0 PdCl2(cr) PdCl2 = 1.000Pd+2 + 2.000Cl- log_k -9.200 delta_h 54.423 #kJ/mol # Enthalpy of formation: -198.7 #kJ/mol #82WAG/EVA -analytic 3.34486E-1 0E+0 -2.84271E+3 0E+0 0E+0 PdI2(cr) PdI2 = 1.000Pd+2 + 2.000I- log_k -25.870 delta_h 139.923 #kJ/mol # Enthalpy of formation: -63.6 #kJ/mol #89BAE/McK -analytic -1.35658E+0 0E+0 -7.30868E+3 0E+0 0E+0 PdO(s) PdO = - 2.000H+ + 1.000Pd+2 + 1.000H2O log_k -6.020 delta_h -10.547 #kJ/mol # Enthalpy of formation: -85.4 #kJ/mol #82WAG/EVA -analytic -7.86775E+0 0E+0 5.50907E+2 0E+0 0E+0 PdS(s) PdS = - 1.000H+ + 1.000Pd+2 + 1.000HS- log_k -46.860 delta_h 244.293 #kJ/mol # Enthalpy of formation: -70.71 #kJ/mol #74MIL -analytic -4.06177E+0 0E+0 -1.27603E+4 0E+0 0E+0 PdSe(s) PdSe = - 1.000H+ + 1.000Pd+2 + 1.000HSe- log_k -49.110 delta_h 254.463 #kJ/mol # Enthalpy of formation: -50.28 #kJ/mol #74MIL -analytic -4.53006E+0 0E+0 -1.32915E+4 0E+0 0E+0 Pentahydrite MgSO4:5H2O = 1.000Mg+2 + 1.000SO4-2 + 5.000H2O log_k -1.280 #80HAR/WEA delta_h -14.187 #kJ/mol # Enthalpy of formation: -2791.303 #kJ/mol -analytic -3.76545E+0 0E+0 7.41038E+2 0E+0 0E+0 Periclase MgO = 1.000Mg+2 - 2.000H+ + 1.000H2O log_k 21.580 delta_h -151.230 #kJ/mol # Enthalpy of formation: -601.6 #kJ/mol #89COX/WAG -analytic -4.91432E+0 0E+0 7.89928E+3 0E+0 0E+0 Phillipsite_Ca Ca0.5AlSi3O8:3H2O = 0.500Ca+2 + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 1.000H2O log_k 2.320 #09BLA delta_h -83.630 #kJ/mol # Enthalpy of formation: -4824.022 #kJ/mol -analytic -1.23313E+1 0E+0 4.36829E+3 0E+0 0E+0 Phillipsite_K KAlSi3O8:3H2O = 1.000K+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 1.000H2O log_k 0.040 #09BLA delta_h -46.433 #kJ/mol # Enthalpy of formation: -4841.859 #kJ/mol -analytic -8.0947E+0 0E+0 2.42536E+3 0E+0 0E+0 Phillipsite_Na NaAlSi3O8:3H2O = 1.000Na+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 1.000H2O log_k 1.450 #09BLA delta_h -64.815 #kJ/mol # Enthalpy of formation: -4811.677 #kJ/mol -analytic -9.90508E+0 0E+0 3.38552E+3 0E+0 0E+0 Phlogopite_K KMg3Si3AlO10(OH)2 = 3.000Mg+2 + 1.000K+ + 1.000Al+3 - 10.000H+ + 3.000H4(SiO4) log_k 41.100 delta_h -360.122 #kJ/mol # Enthalpy of formation: -6215 #kJ/mol #92CIR/NAV -analytic -2.19906E+1 0E+0 1.88105E+4 0E+0 0E+0 Phlogopite_Na NaMg3AlSi3O10(OH)2 = 3.000Mg+2 + 1.000Na+ + 1.000Al+3 - 10.000H+ + 3.000H4(SiO4) log_k 44.200 delta_h -391.182 #kJ/mol # Enthalpy of formation: -6172.14 #kJ/mol #98HOL/POW -analytic -2.4332E+1 0E+0 2.04328E+4 0E+0 0E+0 Phosgenite Pb2(CO3)Cl2 = 2.000Pb+2 + 1.000CO3-2 + 2.000Cl- log_k 19.900 #74NAU/RYZ delta_h -163.291 #kJ/mol # Enthalpy of formation: -844.259 #kJ/mol -analytic -8.70731E+0 0E+0 8.52927E+3 0E+0 0E+0 Picromerite K2Mg(SO4)2:6H2O = 1.000Mg+2 + 2.000K+ + 2.000SO4-2 + 6.000H2O log_k -4.330 #84HAR/MOL delta_h 33.487 #kJ/mol # Enthalpy of formation: -4538.427 #kJ/mol #74NAU/RYZ -analytic 1.53666E+0 0E+0 -1.74915E+3 0E+0 0E+0 Pirssonite Na2Ca(CO3)2:2H2O = 1.000Ca+2 + 2.000Na+ + 2.000CO3-2 + 2.000H2O log_k -8.910 #99KON/KON delta_h 9.580 #kJ/mol # Enthalpy of formation: -2955.38 #kJ/mol -analytic -7.23166E+0 0E+0 -5.00398E+2 0E+0 0E+0 Plattnerite PbO2 = 1.000Pb+2 - 2.000H+ + 1.000H2O + 0.500O2 log_k 6.610 delta_h -16.507 #kJ/mol # Enthalpy of formation: -274.47 #kJ/mol #98CHA -analytic 3.7181E+0 0E+0 8.62219E+2 0E+0 0E+0 Plumbogummite PbAl3(PO4)2(OH)5:H2O = 1.000Pb+2 + 3.000Al+3 - 9.000H+ + 2.000H2(PO4)- + 6.000H2O log_k 13.240 #74NRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.324E+1 0E+0 0E+0 0E+0 0E+0 Plumbonacrite Pb10(CO3)6O(OH)6 = 10.000Pb+2 - 8.000H+ + 6.000CO3-2 + 7.000H2O log_k -42.090 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.209E+1 0E+0 0E+0 0E+0 0E+0 Polydymite Ni3S4 = 3.000Ni+2 - 2.000H+ + 4.000HS- - 1.000H2O + 0.500O2 log_k -82.260 delta_h 375.879 #kJ/mol # Enthalpy of formation: -326.352 #kJ/mol #74MIL -analytic -1.64089E+1 0E+0 -1.96335E+4 0E+0 0E+0 Polyhalite K2MgCa2(SO4)4:2H2O = 2.000Ca+2 + 1.000Mg+2 + 2.000K+ + 4.000SO4-2 + 2.000H2O log_k -13.740 #84HAR/MOL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.374E+1 0E+0 0E+0 0E+0 0E+0 Portlandite Ca(OH)2 = 1.000Ca+2 - 2.000H+ + 2.000H2O log_k 22.810 #10BLA/BOU1 delta_h -130.078 #kJ/mol # Enthalpy of formation: -984.582 #kJ/mol -analytic 2.13461E-2 0E+0 6.79444E+3 0E+0 0E+0 Pu(CO3)(OH)(s) Pu(CO3)(OH) = 1.000Pu+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O log_k -5.740 #Estimated by correlation with An(III) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -5.74E+0 0E+0 0E+0 0E+0 0E+0 Pu(HPO4)2(am,hyd) Pu(HPO4)2 = 1.000Pu+4 - 2.000H+ + 2.000H2(PO4)- log_k -16.030 #01LEM/FUG delta_h -32.718 #kJ/mol # Enthalpy of formation: -3112.377 #kJ/mol -analytic -2.17619E+1 0E+0 1.70898E+3 0E+0 0E+0 Pu(OH)3(cr) Pu(OH)3 = 1.000Pu+3 - 3.000H+ + 3.000H2O log_k 15.800 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.58E+1 0E+0 0E+0 0E+0 0E+0 Pu(OH)4(am) Pu(OH)4 = 1.000Pu+4 - 4.000H+ + 4.000H2O log_k -0.800 #89LEM/GAR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -8E-1 0E+0 0E+0 0E+0 0E+0 Pu(PO4)(s,hyd) Pu(PO4) = 1.000Pu+3 - 2.000H+ + 1.000H2(PO4)- log_k -5.040 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -5.04E+0 0E+0 0E+0 0E+0 0E+0 Pu(cr) Pu = 1.000Pu+3 + 1.500H2O - 3.000H+ - 0.750O2 log_k 165.915 delta_h -1011.435 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #01LEM/FUG -analytic -1.12805E+1 0E+0 5.28308E+4 0E+0 0E+0 Pu2O3(s) Pu2O3 = 2.000Pu+3 - 6.000H+ + 3.000H2O log_k 50.630 delta_h -385.070 #kJ/mol # Enthalpy of formation: -1656 #kJ/mol #01LEM/FUG -analytic -1.68313E+1 0E+0 2.01136E+4 0E+0 0E+0 PuAs(s) PuAs = 1.000AsO4-3 + 1.000PuO2+2 - 0.500H2O + 1.000H+ - 2.750O2 log_k 192.005 delta_h -1293.893 #kJ/mol # Enthalpy of formation: -240 #kJ/mol #01LEM/FUG -analytic -3.46749E+1 0E+0 6.75846E+4 0E+0 0E+0 PuF4(s) PuF4 = 1.000Pu+4 + 4.000F- log_k -26.070 #01LEM/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.607E+1 0E+0 0E+0 0E+0 0E+0 PuO2(CO3)(s) PuO2(CO3) = 1.000PuO2+2 + 1.000CO3-2 log_k -14.650 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.465E+1 0E+0 0E+0 0E+0 0E+0 PuO2(OH)(s) PuO2(OH) = 1.000PuO2+ - 1.000H+ + 1.000H2O log_k 5.000 #01LEM/FUG delta_h -36.164 #kJ/mol # Enthalpy of formation: -1159.793 #kJ/mol -analytic -1.33565E+0 0E+0 1.88897E+3 0E+0 0E+0 PuO2(OH)2:H2O(s) PuO2(OH)2:H2O = 1.000PuO2+2 - 2.000H+ + 3.000H2O log_k 5.500 #01LEM/FUG delta_h -46.718 #kJ/mol # Enthalpy of formation: -1632.808 #kJ/mol -analytic -2.68463E+0 0E+0 2.44025E+3 0E+0 0E+0 PuO2(Ox):3H2O(s) PuO2(Ox):3H2O = 1.000PuO2+2 + 1.000Ox-2 + 3.000H2O log_k -10.000 #05HUM/AND # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1E+1 0E+0 0E+0 0E+0 0E+0 PuO2(coll,hyd) PuO2 = 1.000Pu+4 - 4.000H+ + 2.000H2O log_k 0.200 #07NEC/ALT3 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2E-1 0E+0 0E+0 0E+0 0E+0 PuO2(s) PuO2 = 1.000Pu+4 - 4.000H+ + 2.000H2O log_k -8.030 delta_h -55.755 #kJ/mol # Enthalpy of formation: -1055.8 #kJ/mol #01LEM/FUG -analytic -1.77978E+1 0E+0 2.91228E+3 0E+0 0E+0 PuO2:2H2O(am) PuO2:2H2O = 1.000Pu+4 - 4.000H+ + 4.000H2O log_k -2.370 #03GUI/FAN delta_h -58.548 #kJ/mol # Enthalpy of formation: -1624.667 #kJ/mol -analytic -1.26272E+1 0E+0 3.05817E+3 0E+0 0E+0 Pyrite FeS2 = 1.000Fe+2 + 2.000HS- - 1.000H2O + 0.500O2 log_k -58.780 delta_h 324.813 #kJ/mol # Enthalpy of formation: -167.65 #kJ/mol #76RAU in 04CHI -analytic -1.87529E+0 0E+0 -1.69661E+4 0E+0 0E+0 Pyrochroite Mn(OH)2 = 1.000Mn+2 - 2.000H+ + 2.000H2O log_k 15.300 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.53E+1 0E+0 0E+0 0E+0 0E+0 Pyromorphite Pb5Cl(PO4)3 = 5.000Pb+2 - 6.000H+ + 1.000Cl- + 3.000H2(PO4)- log_k -25.750 #74NRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.575E+1 0E+0 0E+0 0E+0 0E+0 Pyromorphite-Br Pb5Br(PO4)3 = 5.000Pb+2 - 6.000H+ + 1.000Br- + 3.000H2(PO4)- log_k -19.450 #74NRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.945E+1 0E+0 0E+0 0E+0 0E+0 Pyromorphite-F Pb5F(PO4)3 = 5.000Pb+2 - 6.000H+ + 1.000F- + 3.000H2(PO4)- log_k -13.100 #74NRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.31E+1 0E+0 0E+0 0E+0 0E+0 Pyromorphite-OH Pb5(OH)(PO4)3 = 5.000Pb+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O log_k -4.150 #74NRI # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -4.15E+0 0E+0 0E+0 0E+0 0E+0 Pyrophyllite Al2Si4O10(OH)2 = 2.000Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O log_k -0.420 delta_h -138.256 #kJ/mol # Enthalpy of formation: -5640 #kJ/mol #95ROB/HEM -analytic -2.46414E+1 0E+0 7.2216E+3 0E+0 0E+0 Pyrrhotite Fe0.87S = 0.870Fe+2 - 0.740H+ + 1.000HS- - 0.130H2O + 0.065O2 log_k -11.179 delta_h 38.819 #kJ/mol # Enthalpy of formation: -97.5 #kJ/mol #95ROB/HEM -analytic -4.37788E+0 0E+0 -2.02766E+3 0E+0 0E+0 Quartz SiO2 = 1.000H4(SiO4) - 2.000H2O log_k -3.740 delta_h 21.166 #kJ/mol # Enthalpy of formation: -910.7 #kJ/mol #82RIC/BOT -analytic -3.18814E-2 0E+0 -1.10558E+3 0E+0 0E+0 Ra(CO3)(s) Ra(CO3) = 1.000Ra+2 + 1.000CO3-2 log_k -8.300 #85LAN/RIE delta_h 13.390 #kJ/mol # Enthalpy of formation: -1216.646 #kJ/mol -analytic -5.95418E+0 0E+0 -6.99407E+2 0E+0 0E+0 Ra(NO3)2(s) Ra(NO3)2 = 1.000Ra+2 + 2.000NO3- log_k -2.210 delta_h 49.980 #kJ/mol # Enthalpy of formation: -991.706 #kJ/mol -analytic 6.54611E+0 0E+0 -2.61063E+3 0E+0 0E+0 Ra(OH)2(s) Ra(OH)2 = - 2.000H+ + 1.000Ra+2 + 2.000H2O log_k 30.990 delta_h -149.763 #kJ/mol # Enthalpy of formation: -949.923 #kJ/mol -analytic 4.75269E+0 0E+0 7.82265E+3 0E+0 0E+0 Ra(SO4)(s) Ra(SO4) = 1.000Ra+2 + 1.000SO4-2 log_k -10.260 #99SCH, 85LAN/RIE delta_h 38.910 #kJ/mol # Enthalpy of formation: -1476.275 #kJ/mol -analytic -3.44327E+0 0E+0 -2.03241E+3 0E+0 0E+0 Ra(cr) Ra = 1.000Ra+2 + 1.000H2O - 2.000H+ - 0.500O2 log_k 141.430 delta_h -807.788 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA -analytic -8.81751E-2 0E+0 4.21936E+4 0E+0 0E+0 RaCl2:2H2O(s) RaCl2:2H2O = 1.000Ra+2 + 2.000Cl- + 2.000H2O log_k -0.730 delta_h 32.220 #kJ/mol # Enthalpy of formation: -1466.065 #kJ/mol -analytic 4.91469E+0 0E+0 -1.68297E+3 0E+0 0E+0 Rb(s) Rb = 1.000Rb+ + 0.500H2O - 1.000H+ - 0.250O2 log_k 71.255 delta_h -391.002 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG -analytic 2.75458E+0 0E+0 2.04234E+4 0E+0 0E+0 Rb2MoO4(s) Rb2MoO4 = 1.000MoO4-2 + 2.000Rb+ log_k 3.100 delta_h -5.391 #kJ/mol # Enthalpy of formation: -1493.849 #kJ/mol -analytic 2.15554E+0 0E+0 2.81591E+2 0E+0 0E+0 Realgar AsS = 4.000H+ + 1.000HS- + 1.000AsO4-3 - 2.500H2O - 0.750O2 log_k -2.575 delta_h -109.359 #kJ/mol # Enthalpy of formation: -71.406 #kJ/mol -analytic -2.17338E+1 0E+0 5.71218E+3 0E+0 0E+0 Rhodochrosite Mn(CO3) = 1.000Mn+2 + 1.000CO3-2 log_k -11.130 #92PEA/BER delta_h -5.899 #kJ/mol # Enthalpy of formation: -890.081 #kJ/mol -analytic -1.21635E+1 0E+0 3.08126E+2 0E+0 0E+0 Rhodochrosite(syn) Mn(CO3) = 1.000Mn+2 + 1.000CO3-2 log_k -10.520 delta_h -6.792 #kJ/mol # Enthalpy of formation: -889.188 #kJ/mol #92JOH -analytic -1.17099E+1 0E+0 3.5477E+2 0E+0 0E+0 Ripidolite_Cca-2 (Mg2.964Fe1.712Fe0.215Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8 = 0.011Ca+2 + 2.964Mg+2 + 0.215Fe+3 + 1.712Fe+2 + 2.483Al+3 - 17.468H+ + 2.633H4(SiO4) + 7.468H2O log_k 61.350 delta_h -633.385 #kJ/mol # Enthalpy of formation: -8240.14 #kJ/mol #13BLA/GAI2 -analytic -4.96141E+1 0E+0 3.3084E+4 0E+0 0E+0 Romarchite SnO = 1.000Sn+2 - 2.000H+ + 1.000H2O log_k 1.590 delta_h -11.207 #kJ/mol # Enthalpy of formation: -284.24 #kJ/mol #12GAM/GAJ -analytic -3.73379E-1 0E+0 5.85382E+2 0E+0 0E+0 Rutherfordine (UO2)(CO3) = 1.000UO2+2 + 1.000CO3-2 log_k -14.760 #03GUI/FAN delta_h -2.929 #kJ/mol # Enthalpy of formation: -1691.301 #kJ/mol -analytic -1.52731E+1 0E+0 1.52992E+2 0E+0 0E+0 S(cr) S = 1.000H+ + 1.000HS- - 1.000H2O + 0.500O2 log_k -45.130 delta_h 263.463 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #89COX/WAG -analytic 1.02667E+0 0E+0 -1.37616E+4 0E+0 0E+0 Sacchite MnCl2 = 1.000Mn+2 + 2.000Cl- log_k 8.770 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.77E+0 0E+0 0E+0 0E+0 0E+0 Sanidine KAlSi3O8 = 1.000K+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O log_k 0.580 delta_h -65.073 #kJ/mol # Enthalpy of formation: -3965.73 #kJ/mol #99ARN/STE -analytic -1.08203E+1 0E+0 3.39899E+3 0E+0 0E+0 Saponite-Ca Ca0.17Mg3Al0.34Si3.66O10(OH)2 = 0.170Ca+2 + 3.000Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O log_k 29.340 delta_h -271.305 #kJ/mol # Enthalpy of formation: -5998.44 #kJ/mol #15BLA/VIE -analytic -1.81905E+1 0E+0 1.41712E+4 0E+0 0E+0 Saponite-FeCa Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 = 0.170Ca+2 + 2.000Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O log_k 26.550 delta_h -259.175 #kJ/mol # Enthalpy of formation: -5633.57 #kJ/mol #15BLA/VIE -analytic -1.88554E+1 0E+0 1.35376E+4 0E+0 0E+0 Saponite-FeK K0.34Mg2FeAl0.34Si3.66O10(OH)2 = 2.000Mg+2 + 0.340K+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O log_k 25.380 delta_h -240.632 #kJ/mol # Enthalpy of formation: -5645.53 #kJ/mol #15BLA/VIE -analytic -1.67769E+1 0E+0 1.25691E+4 0E+0 0E+0 Saponite-FeMg Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 = 2.170Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O log_k 26.000 delta_h -260.345 #kJ/mol # Enthalpy of formation: -5619.48 #kJ/mol #15BLA/VIE -analytic -1.96104E+1 0E+0 1.35987E+4 0E+0 0E+0 Saponite-FeNa Na0.34Mg2FeAl0.34Si3.66O10(OH)2 = 2.000Mg+2 + 0.340Na+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O log_k 25.700 delta_h -248.260 #kJ/mol # Enthalpy of formation: -5633.89 #kJ/mol #15BLA/VIE -analytic -1.77932E+1 0E+0 1.29675E+4 0E+0 0E+0 Saponite-K K0.34Mg3Al0.34Si3.66O10(OH)2 = 3.000Mg+2 + 0.340K+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O log_k 28.170 delta_h -252.772 #kJ/mol # Enthalpy of formation: -6010.39 #kJ/mol #15BLA/VIE -analytic -1.61137E+1 0E+0 1.32032E+4 0E+0 0E+0 Saponite-Mg Mg0.17Mg3Al0.34Si3.66O10(OH)2 = 3.170Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O log_k 28.790 delta_h -272.485 #kJ/mol # Enthalpy of formation: -5984.34 #kJ/mol #15BLA/VIE -analytic -1.89473E+1 0E+0 1.42329E+4 0E+0 0E+0 Saponite-Na Na0.34Mg3Al0.34Si3.66O10(OH)2 = 3.000Mg+2 + 0.340Na+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O log_k 28.670 delta_h -261.390 #kJ/mol # Enthalpy of formation: -5997.76 #kJ/mol #15BLA/VIE -analytic -1.71235E+1 0E+0 1.36533E+4 0E+0 0E+0 Saponite_SapCa (Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2 = 0.038Ca+2 + 2.949Mg+2 + 0.021K+ + 0.394Na+ + 0.034Fe+3 + 0.021Fe+2 + 0.397Al+3 - 7.724H+ + 3.569H4(SiO4) - 2.276H2O log_k 31.470 delta_h -285.499 #kJ/mol # Enthalpy of formation: -5994.06 #kJ/mol #13GAI/BLA -analytic -1.85472E+1 0E+0 1.49126E+4 0E+0 0E+0 Saponite_SapCa(4.151H2O) (Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2:4.151H2O = 0.038Ca+2 + 2.949Mg+2 + 0.021K+ + 0.394Na+ + 0.034Fe+3 + 0.021Fe+2 + 0.397Al+3 - 7.724H+ + 3.569H4(SiO4) + 1.875H2O log_k 28.300 delta_h -255.590 #kJ/mol # Enthalpy of formation: -7210.45 #kJ/mol #09GAI -analytic -1.64774E+1 0E+0 1.33504E+4 0E+0 0E+0 Sb(cr) Sb = 1.000Sb(OH)3 - 1.500H2O - 0.750O2 log_k 52.815 delta_h -336.045 #kJ/mol # Enthalpy of formation: 0 #kJ/mol -analytic -6.05738E+0 0E+0 1.75528E+4 0E+0 0E+0 Sb2O5(s) Sb2O5 = 2.000Sb(OH)5 - 5.000H2O log_k -7.400 #48TOU/MOU in 76BAE/MES # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -7.4E+0 0E+0 0E+0 0E+0 0E+0 Schoepite UO3:2H2O = 1.000UO2+2 - 2.000H+ + 3.000H2O log_k 5.960 #91SAN/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5.96E+0 0E+0 0E+0 0E+0 0E+0 Schoepite(des) UO3:0.9H2O = 1.000UO2+2 - 2.000H+ + 1.900H2O log_k 5.000 delta_h -55.777 #kJ/mol # Enthalpy of formation: -1506.3 #kJ/mol #92GRE/FUG -analytic -4.7717E+0 0E+0 2.91343E+3 0E+0 0E+0 Scolecite CaAl2Si3O10:3H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 3.000H4(SiO4) + 1.000H2O log_k 16.650 delta_h -240.212 #kJ/mol # Enthalpy of formation: -6049 #kJ/mol #83JOH/FLO -analytic -2.54333E+1 0E+0 1.25471E+4 0E+0 0E+0 Se(s) Se = 1.000H+ + 1.000HSe- - 1.000H2O + 0.500O2 log_k -50.610 delta_h 294.063 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG -analytic 9.07551E-1 0E+0 -1.536E+4 0E+0 0E+0 Se3U(cr) Se3U = 1.000UO2+2 + 1.000H+ + 3.000HSe- - 2.000H2O log_k -18.270 delta_h 47.560 #kJ/mol # Enthalpy of formation: -452 #kJ/mol #92GRE/FUG -analytic -9.93786E+0 0E+0 -2.48423E+3 0E+0 0E+0 SeO3(cr) SeO3 = 2.000H+ + 1.000SeO4-2 - 1.000H2O log_k 20.360 delta_h -154.570 #kJ/mol # Enthalpy of formation: -163.1 #kJ/mol #05OLI/NOL -analytic -6.71946E+0 0E+0 8.07374E+3 0E+0 0E+0 SeU(cr) SeU = 1.000U+4 - 3.000H+ + 1.000HSe- + 1.000H2O - 0.500O2 log_k 80.330 delta_h -584.663 #kJ/mol # Enthalpy of formation: -272 #kJ/mol #05OLI/NOL -analytic -2.20984E+1 0E+0 3.0539E+4 0E+0 0E+0 Si(cr) Si = 1.000H4(SiO4) - 2.000H2O - 1.000O2 log_k 149.170 delta_h -877.400 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #89COX/WAG -analytic -4.54366E+0 0E+0 4.58297E+4 0E+0 0E+0 SiO2(am) SiO2 = 1.000H4(SiO4) - 2.000H2O log_k -2.710 #00GUN/ARN delta_h 13.522 #kJ/mol # Enthalpy of formation: -903.056 #kJ/mol -analytic -3.41051E-1 0E+0 -7.06302E+2 0E+0 0E+0 Siderite Fe(CO3) = 1.000Fe+2 + 1.000CO3-2 log_k -10.800 #92BRU/WER delta_h -12.012 #kJ/mol # Enthalpy of formation: -753.218 #kJ/mol -analytic -1.29044E+1 0E+0 6.2743E+2 0E+0 0E+0 Siderophyllite KFe2Al3Si2O10(OH)2 = 1.000K+ + 2.000Fe+2 + 3.000Al+3 - 14.000H+ + 2.000H4(SiO4) + 4.000H2O log_k 40.570 delta_h -484.778 #kJ/mol # Enthalpy of formation: -5628.27 #kJ/mol #90HOL/POW -analytic -4.43593E+1 0E+0 2.53217E+4 0E+0 0E+0 Sm(OH)3(am) Sm(OH)3 = 1.000Sm+3 - 3.000H+ + 3.000H2O log_k 17.850 #98DIA/RAG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.785E+1 0E+0 0E+0 0E+0 0E+0 Sm(OH)3(s) Sm(OH)3 = 1.000Sm+3 - 3.000H+ + 3.000H2O log_k 16.130 #98DIA/RAG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.613E+1 0E+0 0E+0 0E+0 0E+0 Sm(cr) Sm = 1.000Sm+3 + 1.500H2O - 3.000H+ - 0.750O2 log_k 181.105 delta_h -1110.844 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #79ROB/HEM -analytic -1.35061E+1 0E+0 5.80233E+4 0E+0 0E+0 Sm2(CO3)3(s) Sm2(CO3)3 = 2.000Sm+3 + 3.000CO3-2 log_k -34.500 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.45E+1 0E+0 0E+0 0E+0 0E+0 Sm2(SO4)3(s) Sm2(SO4)3 = 2.000Sm+3 + 3.000SO4-2 log_k -9.800 #95SPA/BRU delta_h -211.318 #kJ/mol # Enthalpy of formation: -3899.1 #kJ/mol #82WAG/EVA -analytic -4.68213E+1 0E+0 1.10379E+4 0E+0 0E+0 Sm2O3(s) Sm2O3 = 2.000Sm+3 - 6.000H+ + 3.000H2O log_k 43.110 delta_h -355.039 #kJ/mol # Enthalpy of formation: -1884.849 #kJ/mol -analytic -1.90901E+1 0E+0 1.8545E+4 0E+0 0E+0 SmCl3:6H2O(s) SmCl3:6H2O = 1.000Sm+3 + 3.000Cl- + 6.000H2O log_k 4.800 #96FAL/REA delta_h -38.311 #kJ/mol # Enthalpy of formation: -2869.108 #kJ/mol -analytic -1.91179E+0 0E+0 2.00112E+3 0E+0 0E+0 SmF3:0.5H2O(s) SmF3:0.5H2O = 1.000Sm+3 + 3.000F- + 0.500H2O log_k -17.500 #95SPA/BRU # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.75E+1 0E+0 0E+0 0E+0 0E+0 SmOHCO3(cr) SmOHCO3 = 1.000Sm+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O log_k -10.230 delta_h -38.859 #kJ/mol # Enthalpy of formation: -1613.4 #kJ/mol #05ROR/FUG -analytic -1.70378E+1 0E+0 2.02974E+3 0E+0 0E+0 SmOHCO3:0.5H2O(cr) SmOHCO3:0.5H2O = 1.000Sm+3 - 1.000H+ + 1.000CO3-2 + 1.500H2O log_k -7.310 delta_h -51.074 #kJ/mol # Enthalpy of formation: -1744.1 #kJ/mol #05ROR/FUG -analytic -1.62578E+1 0E+0 2.66778E+3 0E+0 0E+0 SmPO4:H2O(am) SmPO4:H2O = 1.000Sm+3 - 2.000H+ + 1.000H2(PO4)- + 1.000H2O log_k -5.000 #05CET/WOO delta_h -26.480 #kJ/mol # Enthalpy of formation: -2253.149 #kJ/mol #05CET/WOO -analytic -9.63909E+0 0E+0 1.38314E+3 0E+0 0E+0 SmPO4:H2O(cr) SmPO4:H2O = 1.000Sm+3 - 2.000H+ + 1.000H2(PO4)- + 1.000H2O log_k -6.670 #97LIU/BYR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6.67E+0 0E+0 0E+0 0E+0 0E+0 SmectiteMX80 Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.173Fe0.035)O10(OH)2 = 0.009Ca+2 + 0.214Mg+2 + 0.024K+ + 0.409Na+ + 0.173Fe+3 + 1.860Al+3 + 3.738H4(SiO4) + 0.035Fe+2 - 2.952H2O - 7.048H+ log_k 5.270 delta_h -184.029 #kJ/mol # Enthalpy of formation: -5656.37 #kJ/mol #12GAI/BLA -analytic -2.69704E+1 0E+0 9.61249E+3 0E+0 0E+0 Smectite_MX80(3.989H2O) (Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:3.989H2O = 0.009Ca+2 + 0.214Mg+2 + 0.024K+ + 0.409Na+ + 0.173Fe+3 + 0.035Fe+2 + 1.860Al+3 - 7.048H+ + 3.738H4(SiO4) + 1.037H2O log_k 1.780 delta_h -157.245 #kJ/mol # Enthalpy of formation: -6823.33 #kJ/mol #12GAI/BLA -analytic -2.57681E+1 0E+0 8.21347E+3 0E+0 0E+0 Smectite_MX80(5.189H2O) (Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:5.189H2O = 0.009Ca+2 + 0.214Mg+2 + 0.024K+ + 0.409Na+ + 0.173Fe+3 + 0.035Fe+2 + 1.860Al+3 - 7.048H+ + 3.738H4(SiO4) + 2.237H2O log_k 1.440 delta_h -149.152 #kJ/mol # Enthalpy of formation: -7174.42 #kJ/mol #12GAI/BLA -analytic -2.46903E+1 0E+0 7.79074E+3 0E+0 0E+0 Sn(OH)4(s) Sn(OH)4 = 1.000Sn+4 - 4.000H+ + 4.000H2O log_k -1.280 #70BAR/KLI in 01SEB/POT # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.28E+0 0E+0 0E+0 0E+0 0E+0 Sn(OH)Cl(s) Sn(OH)Cl = 1.000Sn+2 - 1.000H+ + 1.000Cl- + 1.000H2O log_k -2.420 #30RAN/MUR recalculated in 99LOT/OCH # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.42E+0 0E+0 0E+0 0E+0 0E+0 Sn(cr)(alfa) Sn = 1.000Sn+2 + 1.000H2O - 2.000H+ - 0.500O2 log_k 47.810 delta_h -287.400 #kJ/mol # Enthalpy of formation: -1.98 #kJ/mol #12GAM/GAJ -analytic -2.54024E+0 0E+0 1.50119E+4 0E+0 0E+0 Sn(cr)(beta) Sn = 1.000Sn+2 + 1.000H2O - 2.000H+ - 0.500O2 log_k 47.790 delta_h -289.380 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #89COX/WAG -analytic -2.90713E+0 0E+0 1.51153E+4 0E+0 0E+0 SnO2(am) SnO2 = 1.000Sn+4 - 4.000H+ + 2.000H2O log_k -14.770 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.477E+1 0E+0 0E+0 0E+0 0E+0 SnSe(alfa) SnSe = 1.000Sn+2 - 1.000H+ + 1.000HSe- log_k -21.670 delta_h 114.183 #kJ/mol # Enthalpy of formation: -109.5 #kJ/mol #05OLI/NOL -analytic -1.66603E+0 0E+0 -5.96418E+3 0E+0 0E+0 SnSe2(s) SnSe2 = 1.000Sn+2 + 2.000HSe- - 1.000H2O + 0.500O2 log_k -73.780 delta_h 413.646 #kJ/mol # Enthalpy of formation: -114.9 #kJ/mol #05OLI/NOL -analytic -1.31244E+0 0E+0 -2.16062E+4 0E+0 0E+0 Soddyite(synt1) (UO2)2SiO4:2H2O = 2.000UO2+2 - 4.000H+ + 1.000H4(SiO4) + 2.000H2O log_k 3.900 #97PER/CAS # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0 Soddyite(synt2) (UO2)2SiO4:2H2O = 2.000UO2+2 - 4.000H+ + 1.000H4(SiO4) + 2.000H2O log_k 6.430 #07GOR/MAZ delta_h -25.454 #kJ/mol # Enthalpy of formation: -4045.4 #kJ/mol #07GOR/MAZ -analytic 1.97066E+0 0E+0 1.32955E+3 0E+0 0E+0 Sodium-compreignacite Na2(UO2)6O4(OH)6:7H2O = 2.000Na+ + 6.000UO2+2 - 14.000H+ + 17.000H2O log_k 39.400 #08GOR/FEI delta_h -517.390 #kJ/mol # Enthalpy of formation: -10936.4 #kJ/mol #06KUB/HEL -analytic -5.12427E+1 0E+0 2.70251E+4 0E+0 0E+0 Sphaerocobaltite CoCO3 = 1.000Co+2 + 1.000CO3-2 log_k -11.200 #99GRA2 delta_h -9.421 #kJ/mol # Enthalpy of formation: -723.409 #kJ/mol -analytic -1.28505E+1 0E+0 4.92092E+2 0E+0 0E+0 Sr(HPO4)(s) Sr(HPO4) = 1.000Sr+2 - 1.000H+ + 1.000H2(PO4)- log_k 0.280 #97MAR/SMI delta_h -19.487 #kJ/mol # Enthalpy of formation: -1834.012 #kJ/mol -analytic -3.13397E+0 0E+0 1.01788E+3 0E+0 0E+0 Sr(NO3)2(cr) Sr(NO3)2 = 1.000Sr+2 + 2.000NO3- log_k 0.400 delta_h 17.760 #kJ/mol # Enthalpy of formation: -982.36 #kJ/mol #92GRE/FUG -analytic 3.51141E+0 0E+0 -9.27668E+2 0E+0 0E+0 Sr(NO3)2:2H2O(s) Sr(NO3)2:2H2O = 1.000Sr+2 + 2.000NO3- + 2.000H2O log_k 0.050 #25/08/1994 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 5E-2 0E+0 0E+0 0E+0 0E+0 Sr(NO3)2:4H2O(s) Sr(NO3)2:4H2O = 1.000Sr+2 + 2.000NO3- + 4.000H2O log_k -0.870 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -8.7E-1 0E+0 0E+0 0E+0 0E+0 Sr(OH)2(s) Sr(OH)2 = 1.000Sr+2 - 2.000H+ + 2.000H2O log_k 27.510 delta_h -153.670 #kJ/mol # Enthalpy of formation: -968.89 #kJ/mol #98CHA -analytic 5.88211E-1 0E+0 8.02673E+3 0E+0 0E+0 Sr(OH)2:8H2O(s) Sr(OH)2:8H2O = 1.000Sr+2 - 2.000H+ + 10.000H2O log_k 24.320 #98FEL/DIX delta_h -57.000 #kJ/mol # Enthalpy of formation: -3352.2 #kJ/mol #82WAG/EVA -analytic 1.4334E+1 0E+0 2.97731E+3 0E+0 0E+0 Sr(SeO3)(cr) Sr(SeO3) = 1.000Sr+2 + 1.000SeO3-2 log_k -6.300 #05OLI/NOL delta_h -6.160 #kJ/mol # Enthalpy of formation: -1051.9 #kJ/mol #05OLI/NOL -analytic -7.37918E+0 0E+0 3.21759E+2 0E+0 0E+0 Sr(SeO4)(s) Sr(SeO4) = 1.000Sr+2 + 1.000SeO4-2 log_k -4.350 #Original source 59SEL/ZUB recalculated in 05OLI/NOL delta_h -21.841 #kJ/mol # Enthalpy of formation: -1132.559 #kJ/mol -analytic -8.17637E+0 0E+0 1.14083E+3 0E+0 0E+0 Sr(cr) Sr = 1.000Sr+2 + 1.000H2O - 2.000H+ - 0.500O2 log_k 141.780 delta_h -830.663 #kJ/mol # Enthalpy of formation: 0 #kJ/mol -analytic -3.7457E+0 0E+0 4.33885E+4 0E+0 0E+0 Sr2SiO4(s) Sr2SiO4 = 2.000Sr+2 - 4.000H+ + 1.000H4(SiO4) log_k 43.250 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 4.325E+1 0E+0 0E+0 0E+0 0E+0 Sr3(AsO4)2(s) Sr3(AsO4)2 = 3.000Sr+2 + 2.000AsO4-3 log_k -16.080 delta_h -109.493 #kJ/mol # Enthalpy of formation: -3319.487 #kJ/mol -analytic -3.52623E+1 0E+0 5.71921E+3 0E+0 0E+0 Sr3(PO4)2(s) Sr3(PO4)2 = 3.000Sr+2 - 4.000H+ + 2.000H2(PO4)- log_k 10.530 #06BLA/IGN delta_h -147.900 #kJ/mol # Enthalpy of formation: -4110 #kJ/mol #97KHA/JEM -analytic -1.53809E+1 0E+0 7.72534E+3 0E+0 0E+0 Sr5(PO4)3(OH)(s) Sr5(PO4)3(OH) = 5.000Sr+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O log_k 7.170 #05KIM/PAR delta_h -261.630 #kJ/mol # Enthalpy of formation: -6686.5 #kJ/mol #95JEM/CHE -analytic -3.86655E+1 0E+0 1.36659E+4 0E+0 0E+0 SrBr2(s) SrBr2 = 1.000Sr+2 + 2.000Br- log_k 12.500 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.25E+1 0E+0 0E+0 0E+0 0E+0 SrBr2:6H2O(s) SrBr2:6H2O = 1.000Sr+2 + 2.000Br- + 6.000H2O log_k 2.820 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.82E+0 0E+0 0E+0 0E+0 0E+0 SrBr2:H2O(s) SrBr2:H2O = 1.000Sr+2 + 2.000Br- + 1.000H2O log_k 8.800 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.8E+0 0E+0 0E+0 0E+0 0E+0 SrCl2(s) SrCl2 = 1.000Sr+2 + 2.000Cl- log_k 8.120 delta_h -56.210 #kJ/mol # Enthalpy of formation: -828.85 #kJ/mol #98CHA -analytic -1.72755E+0 0E+0 2.93605E+3 0E+0 0E+0 SrCl2:2H2O(s) SrCl2:2H2O = 1.000Sr+2 + 2.000Cl- + 2.000H2O log_k 3.470 delta_h -18.720 #kJ/mol # Enthalpy of formation: -1438 #kJ/mol #82WAG/EVA -analytic 1.90402E-1 0E+0 9.77812E+2 0E+0 0E+0 SrCl2:6H2O(s) SrCl2:6H2O = 1.000Sr+2 + 2.000Cl- + 6.000H2O log_k 1.610 delta_h 23.760 #kJ/mol # Enthalpy of formation: -2623.8 #kJ/mol #82WAG/EVA -analytic 5.77257E+0 0E+0 -1.24107E+3 0E+0 0E+0 SrCl2:H2O(s) SrCl2:H2O = 1.000Sr+2 + 2.000Cl- + 1.000H2O log_k 4.910 delta_h -34.090 #kJ/mol # Enthalpy of formation: -1136.8 #kJ/mol #82WAG/EVA -analytic -1.0623E+0 0E+0 1.78064E+3 0E+0 0E+0 SrCrO4(s) SrCrO4 = 1.000Sr+2 + 1.000CrO4-2 log_k -4.650 #97MAR/SMI delta_h -10.125 #kJ/mol #97MAR/SMI # Enthalpy of formation: -1419.775 #kJ/mol -analytic -6.42382E+0 0E+0 5.28865E+2 0E+0 0E+0 SrF2(cr) SrF2 = 1.000Sr+2 + 2.000F- log_k -8.540 #96FAL/REA # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -8.54E+0 0E+0 0E+0 0E+0 0E+0 SrMoO4(s) SrMoO4 = 1.000Sr+2 + 1.000MoO4-2 log_k -6.590 #54RAO in 74OHA/KEN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -6.59E+0 0E+0 0E+0 0E+0 0E+0 SrO(cr) SrO = 1.000Sr+2 - 2.000H+ + 1.000H2O log_k 41.980 delta_h -244.690 #kJ/mol # Enthalpy of formation: -592.04 #kJ/mol #98CHA -analytic -8.87785E-1 0E+0 1.2781E+4 0E+0 0E+0 SrS(s) SrS = 1.000Sr+2 - 1.000H+ + 1.000HS- log_k 14.680 # delta_h -93.570 #kJ/mol # Enthalpy of formation: -473.63 #kJ/mol #82WAG/EVA -analytic -1.71274E+0 0E+0 4.88749E+3 0E+0 0E+0 SrSiO3(s) SrSiO3 = 1.000Sr+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O log_k 13.160 delta_h -80.278 #kJ/mol # Enthalpy of formation: -1645.986 #kJ/mol #74NAU/RYZ -analytic -9.04081E-1 0E+0 4.19321E+3 0E+0 0E+0 SrZrSi2O7(cr) SrZrSi2O7 = 1.000Sr+2 - 6.000H+ + 2.000H4(SiO4) + 1.000Zr+4 - 1.000H2O log_k 5.200 delta_h -155.158 #kJ/mol # Enthalpy of formation: -3640.8 #kJ/mol #05BRO/CUR -analytic -2.19825E+1 0E+0 8.10445E+3 0E+0 0E+0 Stellerite Ca2Al4Si14O36:14H2O = 2.000Ca+2 + 4.000Al+3 - 16.000H+ + 14.000H4(SiO4) - 6.000H2O log_k 6.990 delta_h -325.096 #kJ/mol # Enthalpy of formation: -21656.24 #kJ/mol #01FRI/NEU -analytic -4.99643E+1 0E+0 1.69809E+4 0E+0 0E+0 Stibnite Sb2S3 = 3.000H+ + 3.000HS- + 2.000Sb(OH)3 - 6.000H2O log_k -56.030 delta_h 269.695 #kJ/mol # Enthalpy of formation: -151.4 #kJ/mol #95ROB/HEM -analytic -8.78153E+0 0E+0 -1.40871E+4 0E+0 0E+0 Stilbite NaCa2(Al5Si13)O36:16H2O = 2.000Ca+2 + 1.000Na+ + 5.000Al+3 - 20.000H+ + 13.000H4(SiO4) log_k 23.050 delta_h -434.152 #kJ/mol # Enthalpy of formation: -22579.71 #kJ/mol #01FRI/NEU -analytic -5.30101E+1 0E+0 2.26773E+4 0E+0 0E+0 Stilleite ZnSe = 1.000Zn+2 - 1.000H+ + 1.000HSe- log_k -12.050 delta_h 36.910 #kJ/mol # Enthalpy of formation: -176 #kJ/mol #05OLI/NOL -analytic -5.58366E+0 0E+0 -1.92794E+3 0E+0 0E+0 Stratlingite Ca2Al2SiO3(OH)8:4H2O = 2.000Ca+2 + 2.000Al+3 - 10.000H+ + 1.000H4(SiO4) + 11.000H2O log_k 49.660 #10BLA/BOU2 delta_h -397.795 #kJ/mol # Enthalpy of formation: -6370.329 #kJ/mol -analytic -2.00306E+1 0E+0 2.07782E+4 0E+0 0E+0 Strontianite Sr(CO3) = 1.000Sr+2 + 1.000CO3-2 log_k -9.270 #84BUS/PLU delta_h -0.366 #kJ/mol # Enthalpy of formation: -1225.764 #kJ/mol -analytic -9.33412E+0 0E+0 1.91175E+1 0E+0 0E+0 Sudoite Mg2Al4Si3O10(OH)8 = 2.000Mg+2 + 4.000Al+3 - 16.000H+ + 3.000H4(SiO4) + 6.000H2O log_k 37.960 delta_h -530.892 #kJ/mol # Enthalpy of formation: -8655.27 #kJ/mol #05VID/PAR -analytic -5.50481E+1 0E+0 2.77304E+4 0E+0 0E+0 Sylvite KCl = 1.000K+ + 1.000Cl- log_k 0.870 delta_h 17.460 #kJ/mol # Enthalpy of formation: -436.68 #kJ/mol #98CHA -analytic 3.92886E+0 0E+0 -9.11998E+2 0E+0 0E+0 Syngenite K2Ca(SO4)2:6H2O = 1.000Ca+2 + 2.000K+ + 2.000SO4-2 + 6.000H2O log_k -7.450 #84HAR/MOL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -7.45E+0 0E+0 0E+0 0E+0 0E+0 Tachyhydrite Mg2CaCl6:12H2O = 1.000Ca+2 + 2.000Mg+2 + 6.000Cl- + 12.000H2O log_k 17.380 #84HAR/MOL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.738E+1 0E+0 0E+0 0E+0 0E+0 Talc Mg3Si4O10(OH)2 = 3.000Mg+2 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O log_k 24.940 delta_h -210.356 #kJ/mol # Enthalpy of formation: -5892.1 #kJ/mol #01KAH/MAR -analytic -1.19127E+1 0E+0 1.09876E+4 0E+0 0E+0 Tc(cr) Tc = 1.000TcO(OH)2 - 1.000H2O - 1.000O2 log_k 60.900 delta_h -451.356 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #99RAR/RAN -analytic -1.81741E+1 0E+0 2.35759E+4 0E+0 0E+0 Tc2O7(s) Tc2O7 = 2.000H+ + 2.000TcO4- - 1.000H2O log_k 15.310 delta_h -46.470 #kJ/mol # Enthalpy of formation: -1126.5 #kJ/mol #99RAR/RAN -analytic 7.16882E+0 0E+0 2.42729E+3 0E+0 0E+0 Tc2O7:H2O(s) Tc2O7:H2O = 2.000H+ + 2.000TcO4- log_k 14.100 delta_h -44.654 #kJ/mol # Enthalpy of formation: -1414.146 #kJ/mol #99RAR/RAN -analytic 6.27697E+0 0E+0 2.33244E+3 0E+0 0E+0 TcO2(cr) TcO2 = 1.000TcO(OH)2 - 1.000H2O log_k -9.140 #97NGU/LAN delta_h -5.690 #kJ/mol # Enthalpy of formation: -457.8 #kJ/mol #99RAR/RAN -analytic -1.01368E+1 0E+0 2.97209E+2 0E+0 0E+0 TcO2:1.63H2O(s) TcO2:1.63H2O = 1.000TcO(OH)2 + 0.630H2O log_k -8.400 #99RAR/RAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -8.4E+0 0E+0 0E+0 0E+0 0E+0 Th(HPO4)2(s) Th(HPO4)2 = 1.000Th+4 - 2.000H+ + 2.000H2(PO4)- log_k -16.110 #Estimated from An(IV) correlations # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.611E+1 0E+0 0E+0 0E+0 0E+0 Th(SO4)2:9H2O(cr) Th(SO4)2:9H2O = 1.000Th+4 + 2.000SO4-2 + 9.000H2O log_k -11.250 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.125E+1 0E+0 0E+0 0E+0 0E+0 Th(cr) Th = 1.000Th+4 + 2.000H2O - 4.000H+ - 1.000O2 log_k 209.450 delta_h -1328.226 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #09RAN/FUG -analytic -2.32449E+1 0E+0 6.9378E+4 0E+0 0E+0 ThF4(cr) ThF4 = 1.000Th+4 + 4.000F- log_k -19.110 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.911E+1 0E+0 0E+0 0E+0 0E+0 ThO2(aged) ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O log_k 8.500 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0 ThO2(coll) ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O log_k 11.100 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.11E+1 0E+0 0E+0 0E+0 0E+0 ThO2(cr) ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O log_k 1.770 delta_h -113.960 #kJ/mol # Enthalpy of formation: -1226.4 #kJ/mol #09RAN/FUG -analytic -1.81949E+1 0E+0 5.95254E+3 0E+0 0E+0 ThO2(fresh) ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O log_k 9.300 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.3E+0 0E+0 0E+0 0E+0 0E+0 ThO2(mcr) ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O log_k 3.000 #09RAN/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3E+0 0E+0 0E+0 0E+0 0E+0 Thermonatrite Na2(CO3):H2O = 2.000Na+ + 1.000CO3-2 + 1.000H2O log_k 0.480 #84HAR/MOL delta_h -12.040 #kJ/mol # Enthalpy of formation: -1429.7 #kJ/mol #82VAN -analytic -1.62931E+0 0E+0 6.28892E+2 0E+0 0E+0 Thernardite Na2SO4 = 2.000Na+ + 1.000SO4-2 log_k -0.360 delta_h -2.200 #kJ/mol # Enthalpy of formation: -1387.82 #kJ/mol #98CHA -analytic -7.45423E-1 0E+0 1.14914E+2 0E+0 0E+0 Tiemannite HgSe = 1.000Hg+2 - 1.000H+ + 1.000HSe- log_k -45.430 delta_h 241.521 #kJ/mol # Enthalpy of formation: -57.011 #kJ/mol -analytic -3.1174E+0 0E+0 -1.26155E+4 0E+0 0E+0 Tobermorite-11A Ca5Si6O16.5(OH):5H2O = 5.000Ca+2 - 10.000H+ + 6.000H4(SiO4) - 1.500H2O log_k 65.580 #10BLA/BOU1 delta_h -372.499 #kJ/mol # Enthalpy of formation: -10680.92 #kJ/mol #00ZUE/FEH -analytic 3.21072E-1 0E+0 1.94569E+4 0E+0 0E+0 Tobermorite-14A Ca5Si6O16.5(OH):10H2O = 5.000Ca+2 - 10.000H+ + 6.000H4(SiO4) + 3.500H2O log_k 62.940 #10BLA/BOU1 delta_h -307.419 #kJ/mol # Enthalpy of formation: -12175.15 #kJ/mol #10BLA/BOU1 -analytic 9.08258E+0 0E+0 1.60576E+4 0E+0 0E+0 Trevorite Fe2NiO4 = 2.000Fe+3 + 1.000Ni+2 - 8.000H+ + 4.000H2O log_k 9.400 delta_h -214.413 #kJ/mol # Enthalpy of formation: -1081.173 #kJ/mol -analytic -2.81635E+1 0E+0 1.11996E+4 0E+0 0E+0 Troilite FeS = 1.000Fe+2 - 1.000H+ + 1.000HS- log_k -5.310 #91DAV delta_h 2.015 #kJ/mol # Enthalpy of formation: -108.315 #kJ/mol -analytic -4.95699E+0 0E+0 -1.05251E+2 0E+0 0E+0 Trona Na3H(CO3)2:2H2O = 3.000Na+ + 1.000H+ + 2.000CO3-2 + 2.000H2O log_k -11.380 #84HAR/MOL delta_h 38.960 #kJ/mol # Enthalpy of formation: -2682.1 #kJ/mol #82VAN -analytic -4.55451E+0 0E+0 -2.03502E+3 0E+0 0E+0 Truscottite Ca7Si12O29(OH)4:H2O = 7.000Ca+2 - 14.000H+ + 12.000H4(SiO4) - 14.000H2O log_k 77.080 delta_h -479.088 #kJ/mol # Enthalpy of formation: -16854.62 #kJ/mol #10BLA/BOU1 -analytic -6.85249E+0 0E+0 2.50245E+4 0E+0 0E+0 U(HPO4)2:4H2O(s) U(HPO4)2:4H2O = 1.000U+4 - 2.000H+ + 2.000H2(PO4)- + 4.000H2O log_k -16.070 #92GRE/FUG delta_h -4.902 #kJ/mol # Enthalpy of formation: -4334.819 #kJ/mol -analytic -1.69288E+1 0E+0 2.56049E+2 0E+0 0E+0 U(OH)2(SO4)(cr) U(OH)2(SO4) = 1.000U+4 - 2.000H+ + 1.000SO4-2 + 2.000H2O log_k -3.170 #92GRE/FUG # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.17E+0 0E+0 0E+0 0E+0 0E+0 U(SO4)2(cr) U(SO4)2 = 1.000U+4 + 2.000SO4-2 log_k -11.680 delta_h -100.280 #kJ/mol # Enthalpy of formation: -2309.6 #kJ/mol #92GRE/FUG -analytic -2.92483E+1 0E+0 5.23798E+3 0E+0 0E+0 U(SO4)2:4H2O(cr) U(SO4)2:4H2O = 1.000U+4 + 2.000SO4-2 + 4.000H2O log_k -11.720 delta_h -70.000 #kJ/mol # Enthalpy of formation: -3483.2 #kJ/mol #92GRE/FUG -analytic -2.39835E+1 0E+0 3.65635E+3 0E+0 0E+0 U(SO4)2:8H2O(cr) U(SO4)2:8H2O = 1.000U+4 + 2.000SO4-2 + 8.000H2O log_k -12.770 delta_h -33.920 #kJ/mol # Enthalpy of formation: -4662.6 #kJ/mol #92GRE/FUG -analytic -1.87125E+1 0E+0 1.77176E+3 0E+0 0E+0 U(cr) U = 1.000U+4 + 2.000H2O - 4.000H+ - 1.000O2 log_k 178.810 delta_h -1150.726 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG -analytic -2.27882E+1 0E+0 6.01065E+4 0E+0 0E+0 U2O7Ba(cr) U2O7Ba = 1.000Ba+2 + 2.000UO2+2 - 6.000H+ + 3.000H2O log_k 21.390 delta_h -193.090 #kJ/mol # Enthalpy of formation: -3237.2 #kJ/mol #92GRE/FUG -analytic -1.24379E+1 0E+0 1.00858E+4 0E+0 0E+0 U2O7Ba2(cr) U2O7Ba2 = 2.000Ba+2 + 2.000UO2+ - 6.000H+ + 3.000H2O log_k 35.350 delta_h -237.344 #kJ/mol # Enthalpy of formation: -3740 #kJ/mol #92GRE/FUG -analytic -6.23082E+0 0E+0 1.23973E+4 0E+0 0E+0 U2O7Na2(s) U2O7Na2 = 2.000Na+ + 2.000UO2+2 - 6.000H+ + 3.000H2O log_k 22.600 delta_h -172.370 #kJ/mol # Enthalpy of formation: -3203.8 #kJ/mol #92GRE/FUG -analytic -7.59788E+0 0E+0 9.0035E+3 0E+0 0E+0 U3As4(s) U3As4 = 3.000UO2+2 - 3.000H2O + 6.000H+ + 4.000AsO4-3 - 9.500O2 log_k 730.640 delta_h -4916.797 #kJ/mol # Enthalpy of formation: -720 #kJ/mol #03GUI/FAN -analytic -1.30745E+2 0E+0 2.56822E+5 0E+0 0E+0 UAs(s) UAs = 1.000UO2+2 - 0.500H2O + 1.000H+ + 1.000AsO4-3 - 2.750O2 log_k 225.935 delta_h -1496.557 #kJ/mol # Enthalpy of formation: -234.3 #kJ/mol #03GUI/FAN -analytic -3.62501E+1 0E+0 7.81705E+4 0E+0 0E+0 UAs2(s) UAs2 = 1.000UO2+2 - 2.000H2O + 4.000H+ + 2.000AsO4-3 - 4.000O2 log_k 278.200 delta_h -1923.084 #kJ/mol # Enthalpy of formation: -252 #kJ/mol #03GUI/FAN -analytic -5.87094E+1 0E+0 1.0045E+5 0E+0 0E+0 UO2(CO3)3Mg2:18H2O(s) UO2(CO3)3Mg2:18H2O = 2.000Mg+2 + 1.000UO2+2 + 3.000CO3-2 + 18.000H2O log_k -29.010 delta_h 40.570 #kJ/mol # Enthalpy of formation: -9164.2 #kJ/mol #99CHE/EWI -analytic -2.19025E+1 0E+0 -2.11912E+3 0E+0 0E+0 UO2(CO3)3Na4(cr) UO2(CO3)3Na4 = 4.000Na+ + 1.000UO2+2 + 3.000CO3-2 log_k -27.180 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.718E+1 0E+0 0E+0 0E+0 0E+0 UO2(HPO4):4H2O(cr) UO2(HPO4):4H2O = 1.000UO2+2 - 1.000H+ + 1.000H2(PO4)- + 4.000H2O log_k -4.640 #92GRE/FUG delta_h 5.048 #kJ/mol # Enthalpy of formation: -3469.968 #kJ/mol -analytic -3.75563E+0 0E+0 -2.63675E+2 0E+0 0E+0 UO2(OH)2(beta) UO2(OH)2 = 1.000UO2+2 - 2.000H+ + 2.000H2O log_k 4.930 delta_h -56.860 #kJ/mol # Enthalpy of formation: -1533.8 #kJ/mol #92GRE/FUG -analytic -5.03143E+0 0E+0 2.97E+3 0E+0 0E+0 UO2(Ox):3H2O(s) UO2(Ox):3H2O = 1.000UO2+2 + 1.000Ox-2 + 3.000H2O log_k -8.930 #05HUM/AND delta_h -5.160 #kJ/mol #05HUM/AND # Enthalpy of formation: -2701.99 #kJ/mol -analytic -9.83399E+0 0E+0 2.69525E+2 0E+0 0E+0 UO2(SO3)(cr) UO2(SO3) = 1.000UO2+2 + 1.000SO3-2 log_k -15.830 delta_h 6.450 #kJ/mol # Enthalpy of formation: -1661 #kJ/mol #92GRE/FUG -analytic -1.47E+1 0E+0 -3.36906E+2 0E+0 0E+0 UO2(SO4)(cr) UO2(SO4) = 1.000UO2+2 + 1.000SO4-2 log_k 1.890 #92GRE/FUG delta_h -83.200 #kJ/mol # Enthalpy of formation: -1845.14 #kJ/mol #92GRE/FUG -analytic -1.2686E+1 0E+0 4.34583E+3 0E+0 0E+0 UO2(SO4):2.5H2O(cr) UO2(SO4):2.5H2O = 1.000UO2+2 + 1.000SO4-2 + 2.500H2O log_k -1.590 delta_h -35.915 #kJ/mol # Enthalpy of formation: -2607 #kJ/mol #92GRE/FUG -analytic -7.88203E+0 0E+0 1.87597E+3 0E+0 0E+0 UO2(SO4):3.5H2O(cr) UO2(SO4):3.5H2O = 1.000UO2+2 + 1.000SO4-2 + 3.500H2O log_k -1.590 delta_h -27.145 #kJ/mol # Enthalpy of formation: -2901.6 #kJ/mol #92GRE/FUG -analytic -6.34559E+0 0E+0 1.41788E+3 0E+0 0E+0 UO2(SO4):3H2O(cr) UO2(SO4):3H2O = 1.000UO2+2 + 1.000SO4-2 + 3.000H2O log_k -1.500 #92GRE/FUG delta_h -34.330 #kJ/mol # Enthalpy of formation: -2751.5 #kJ/mol #92GRE/FUG -analytic -7.51435E+0 0E+0 1.79318E+3 0E+0 0E+0 UO2.25(s) UO2.25 = 1.000U+4 - 4.000H+ + 2.000H2O + 0.125O2 log_k -11.748 delta_h -36.377 #kJ/mol # Enthalpy of formation: -1128 #kJ/mol #92GRE/FUG -analytic -1.81205E+1 0E+0 1.90011E+3 0E+0 0E+0 UO2.34(beta) UO2.34 = 1.000U+4 - 4.000H+ + 2.000H2O + 0.170O2 log_k -13.987 delta_h -22.008 #kJ/mol # Enthalpy of formation: -1141 #kJ/mol #03GUI/FAN -analytic -1.78422E+1 0E+0 1.14953E+3 0E+0 0E+0 UO2.67(s) UO2.67 = 1.000U+4 - 4.000H+ + 2.000H2O + 0.335O2 log_k -21.953 delta_h 25.618 #kJ/mol # Enthalpy of formation: -1191.6 #kJ/mol #92GRE/FUG -analytic -1.74652E+1 0E+0 -1.33813E+3 0E+0 0E+0 UO2:2H2O(am) UO2:2H2O = 1.000U+4 - 4.000H+ + 4.000H2O log_k 1.500 #03GUI/FAN # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0 UO3(alfa) UO3 = 1.000UO2+2 - 2.000H+ + 1.000H2O log_k 9.520 delta_h -92.420 #kJ/mol # Enthalpy of formation: -1212.41 #kJ/mol #03GUI/FAN -analytic -6.67127E+0 0E+0 4.82743E+3 0E+0 0E+0 UO3(beta) UO3 = 1.000UO2+2 - 2.000H+ + 1.000H2O log_k 8.300 delta_h -84.530 #kJ/mol # Enthalpy of formation: -1220.3 #kJ/mol #92GRE/FUG -analytic -6.509E+0 0E+0 4.4153E+3 0E+0 0E+0 UO3Na(s) UO3Na = 1.000Na+ + 1.000UO2+ - 2.000H+ + 1.000H2O log_k 8.340 delta_h -56.397 #kJ/mol # Enthalpy of formation: -1494.9 #kJ/mol #92GRE/FUG -analytic -1.54032E+0 0E+0 2.94582E+3 0E+0 0E+0 UO4Ba(s) UO4Ba = 1.000Ba+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O log_k 17.640 delta_h -131.660 #kJ/mol # Enthalpy of formation: -1993.8 #kJ/mol #92GRE/FUG -analytic -5.42581E+0 0E+0 6.87707E+3 0E+0 0E+0 UO4Ca(cr) UO4Ca = 1.000Ca+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O log_k 15.930 delta_h -131.360 #kJ/mol # Enthalpy of formation: -2002.3 #kJ/mol #92GRE/FUG -analytic -7.08325E+0 0E+0 6.8614E+3 0E+0 0E+0 UO4Li2(s) UO4Li2 = 2.000Li+ + 1.000UO2+2 - 4.000H+ + 2.000H2O log_k 27.940 delta_h -179.400 #kJ/mol # Enthalpy of formation: -1968.2 #kJ/mol #92GRE/FUG -analytic -3.48948E+0 0E+0 9.3707E+3 0E+0 0E+0 UO4Mg(cr) UO4Mg = 1.000Mg+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O log_k 23.230 delta_h -200.360 #kJ/mol # Enthalpy of formation: -1857.3 #kJ/mol #92GRE/FUG -analytic -1.18715E+1 0E+0 1.04655E+4 0E+0 0E+0 UO4Na2(alfa) UO4Na2 = 2.000Na+ + 1.000UO2+2 - 4.000H+ + 2.000H2O log_k 30.030 delta_h -173.640 #kJ/mol # Enthalpy of formation: -1897.7 #kJ/mol #92GRE/FUG -analytic -3.90378E-1 0E+0 9.06984E+3 0E+0 0E+0 UO4Na3(cr) UO4Na3 = 3.000Na+ + 1.000UO2+ - 4.000H+ + 2.000H2O log_k 56.280 delta_h -293.807 #kJ/mol # Enthalpy of formation: -2024 #kJ/mol #92GRE/FUG -analytic 4.8073E+0 0E+0 1.53466E+4 0E+0 0E+0 UO4Sr(alfa) UO4Sr = 1.000Sr+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O log_k 19.160 delta_h -151.960 #kJ/mol # Enthalpy of formation: -1989.6 #kJ/mol #92GRE/FUG -analytic -7.46221E+0 0E+0 7.93741E+3 0E+0 0E+0 UO6Ba3(cr) UO6Ba3 = 3.000Ba+2 + 1.000UO2+2 - 8.000H+ + 4.000H2O log_k 92.700 delta_h -556.320 #kJ/mol # Enthalpy of formation: -3210.4 #kJ/mol #92GRE/FUG -analytic -4.76294E+0 0E+0 2.90586E+4 0E+0 0E+0 US2(cr) US2 = 1.000U+4 - 2.000H+ + 2.000HS- log_k -2.430 delta_h -103.400 #kJ/mol # Enthalpy of formation: -520.4 #kJ/mol #92GRE/FUG -analytic -2.05449E+1 0E+0 5.40095E+3 0E+0 0E+0 USe2(beta) USe2 = 1.000U+4 - 2.000H+ + 2.000HSe- log_k 2.820 delta_h -135.600 #kJ/mol # Enthalpy of formation: -427 #kJ/mol #92GRE/FUG -analytic -2.09361E+1 0E+0 7.08287E+3 0E+0 0E+0 Uraninite UO2 = 1.000U+4 - 4.000H+ + 2.000H2O log_k -4.850 delta_h -77.860 #kJ/mol # Enthalpy of formation: -1085 #kJ/mol #92GRE/FUG -analytic -1.84905E+1 0E+0 4.06691E+3 0E+0 0E+0 Uranophane Ca(UO2)2(SiO3OH)2:5H2O = 1.000Ca+2 + 2.000UO2+2 - 6.000H+ + 2.000H4(SiO4) + 5.000H2O log_k 9.420 #92NGU/SIL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 9.42E+0 0E+0 0E+0 0E+0 0E+0 Vaesite NiS2 = 1.000Ni+2 + 2.000HS- - 1.000H2O + 0.500O2 log_k -60.960 delta_h 320.151 #kJ/mol # Enthalpy of formation: -128 #kJ/mol #05GAM/BUG -analytic -4.87203E+0 0E+0 -1.67226E+4 0E+0 0E+0 Valentinite Sb2O3 = 2.000Sb(OH)3 - 3.000H2O log_k -8.480 #52GAY/GAR in 76BAE/MES delta_h 18.500 #kJ/mol # Enthalpy of formation: -708.77 #kJ/mol #62MAH in 03ZOT/SHI -analytic -5.23894E+0 0E+0 -9.66321E+2 0E+0 0E+0 Vaterite CaCO3 = 1.000Ca+2 + 1.000CO3-2 log_k -7.900 delta_h -14.930 #kJ/mol # Enthalpy of formation: -1203.3 #kJ/mol #87GAR/PAR -analytic -1.05156E+1 0E+0 7.79847E+2 0E+0 0E+0 Vermiculite-Ca Ca0.43Mg3Si3.14Al0.86O10(OH)2 = 0.430Ca+2 + 3.000Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O log_k 39.550 delta_h -377.538 #kJ/mol # Enthalpy of formation: -6148.06 #kJ/mol #15BLA/VIE -analytic -2.65917E+1 0E+0 1.97202E+4 0E+0 0E+0 Vermiculite-K K0.86Mg3.00Si3.14Al0.86O10(OH)2 = 3.000Mg+2 + 0.860K+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O log_k 37.440 delta_h -335.539 #kJ/mol # Enthalpy of formation: -6173.41 #kJ/mol #15BLA/VIE -analytic -2.13438E+1 0E+0 1.75264E+4 0E+0 0E+0 Vermiculite-Mg Mg0.43Mg3Si3.14Al0.86O10(OH)2 = 3.430Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O log_k 38.040 delta_h -379.808 #kJ/mol # Enthalpy of formation: -6113.11 #kJ/mol #15BLA/VIE -analytic -2.84994E+1 0E+0 1.98387E+4 0E+0 0E+0 Vermiculite-Na Na0.86Mg3.00Si3.14Al0.86O10(OH)2 = 3.000Mg+2 + 0.860Na+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O log_k 38.390 delta_h -355.541 #kJ/mol # Enthalpy of formation: -6143.26 #kJ/mol #15BLA/VIE -analytic -2.3898E+1 0E+0 1.85712E+4 0E+0 0E+0 Vermiculite_SO (Ca0.445)(Si2.778Al1.222)(Al0.216Fe0.226Fe0.028Mg2.475)O10(OH)2 = 0.445Ca+2 + 2.475Mg+2 + 0.226Fe+3 + 1.438Al+3 + 2.778H4(SiO4) + 0.028Fe+2 + 0.888H2O - 10.888H+ log_k 45.910 delta_h -463.877 #kJ/mol # Enthalpy of formation: -6034.41 #kJ/mol #13GAI/BLA -analytic -3.53576E+1 0E+0 2.42299E+4 0E+0 0E+0 Vivianite Fe3(PO4)2:8H2O = 3.000Fe+2 - 4.000H+ + 2.000H2(PO4)- + 8.000H2O log_k 3.120 delta_h -9.561 #kJ/mol # Enthalpy of formation: -5152.279 #kJ/mol -analytic 1.44499E+0 0E+0 4.99405E+2 0E+0 0E+0 Wairakite CaAl2Si4O12:2H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 4.000H4(SiO4) - 2.000H2O log_k 14.440 delta_h -246.216 #kJ/mol # Enthalpy of formation: -6646.7 #kJ/mol #96KIS/NAV -analytic -2.86951E+1 0E+0 1.28607E+4 0E+0 0E+0 Witherite Ba(CO3) = 1.000Ba+2 + 1.000CO3-2 log_k -8.560 #86BUS/PLU delta_h 2.941 #kJ/mol #86BUS/PLU # Enthalpy of formation: -1212.971 #kJ/mol -analytic -8.04476E+0 0E+0 -1.53619E+2 0E+0 0E+0 Xonotlite Ca6Si6O17(OH)2 = 6.000Ca+2 - 12.000H+ + 6.000H4(SiO4) - 5.000H2O log_k 91.340 #10BLA/BOU1 delta_h -573.864 #kJ/mol # Enthalpy of formation: -10022.15 #kJ/mol #56NEW -analytic -9.19651E+0 0E+0 2.9975E+4 0E+0 0E+0 Zeolite_CaP Ca2Al4Si4O16:9H2O = 2.000Ca+2 + 4.000Al+3 - 16.000H+ + 4.000H4(SiO4) + 9.000H2O log_k 45.150 #09BLA delta_h -527.736 #kJ/mol # Enthalpy of formation: -11129.11 #kJ/mol #09BLA -analytic -4.73052E+1 0E+0 2.75655E+4 0E+0 0E+0 Zn(SeO4):6H2O(s) Zn(SeO4):6H2O = 1.000Zn+2 + 1.000SeO4-2 + 6.000H2O log_k -1.538 #05OLI/NOL delta_h -13.330 #kJ/mol # Enthalpy of formation: -2458.54 #kJ/mol #05OLI/NOL -analytic -3.87331E+0 0E+0 6.96273E+2 0E+0 0E+0 Zn3(AsO4)2(s) Zn3(AsO4)2 = 3.000Zn+2 + 2.000AsO4-3 log_k -27.450 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.745E+1 0E+0 0E+0 0E+0 0E+0 ZnB2O4(s) ZnB2O4 = 1.000Zn+2 + 2.000B(OH)4- - 4.000H2O log_k -10.190 #91BAL/NOR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.019E+1 0E+0 0E+0 0E+0 0E+0 Zr(HPO4)2(alfa) Zr(HPO4)2 = - 2.000H+ + 2.000H2(PO4)- + 1.000Zr+4 log_k -32.270 delta_h -47.500 #kJ/mol # Enthalpy of formation: -3166.2 #kJ/mol #05BRO/CUR -analytic -4.05916E+1 0E+0 2.48109E+3 0E+0 0E+0 Zr(HPO4)2:H2O(cr) Zr(HPO4)2:H2O = - 2.000H+ + 2.000H2(PO4)- + 1.000Zr+4 + 1.000H2O log_k -27.080 #05BRO/CUR delta_h -33.430 #kJ/mol # Enthalpy of formation: -3466.1 #kJ/mol #05BRO/CUR -analytic -3.29367E+1 0E+0 1.74617E+3 0E+0 0E+0 Zr(OH)4(am,aged) Zr(OH)4 = - 4.000H+ + 1.000Zr+4 + 4.000H2O log_k -5.550 #Recalculated from 04EKB/KAL in 05BRO/CUR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -5.55E+0 0E+0 0E+0 0E+0 0E+0 Zr(OH)4(am,fresh) Zr(OH)4 = - 4.000H+ + 1.000Zr+4 + 4.000H2O log_k -3.240 #05BRO/CUR delta_h -89.620 #kJ/mol # Enthalpy of formation: -1662.2 #kJ/mol #05BRO/CUR -analytic -1.89407E+1 0E+0 4.68117E+3 0E+0 0E+0 Zr(SO4)2(cr) Zr(SO4)2 = 2.000SO4-2 + 1.000Zr+4 log_k 1.240 delta_h -181.980 #kJ/mol # Enthalpy of formation: -2245.2 #kJ/mol #05BRO/CUR -analytic -3.06415E+1 0E+0 9.50546E+3 0E+0 0E+0 Zr(SO4)2:4H2O(s) Zr(SO4)2:4H2O = 2.000SO4-2 + 1.000Zr+4 + 4.000H2O log_k -7.650 delta_h -99.600 #kJ/mol # Enthalpy of formation: -3470.9 #kJ/mol #05BRO/CUR -analytic -2.50991E+1 0E+0 5.20246E+3 0E+0 0E+0 Zr(cr) Zr = 1.000Zr+4 + 2.000H2O - 4.000H+ - 1.000O2 log_k 178.570 delta_h -1168.026 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #05BRO/CUR -analytic -2.60591E+1 0E+0 6.10102E+4 0E+0 0E+0 ZrBr4(cr) ZrBr4 = 4.000Br- + 1.000Zr+4 log_k 38.520 delta_h -334.640 #kJ/mol # Enthalpy of formation: -759.5 #kJ/mol #05BRO/CUR -analytic -2.01063E+1 0E+0 1.74794E+4 0E+0 0E+0 ZrCl(s) ZrCl = 1.000Cl- + 1.000Zr+4 + 1.500H2O - 3.000H+ - 0.750O2 log_k 133.725 delta_h -904.025 #kJ/mol # Enthalpy of formation: -291.2 #kJ/mol #05BRO/CUR -analytic -2.46531E+1 0E+0 4.72204E+4 0E+0 0E+0 ZrCl2(s) ZrCl2 = 2.000Cl- + 1.000Zr+4 + 1.000H2O - 2.000H+ - 0.500O2 log_k 94.640 delta_h -679.623 #kJ/mol # Enthalpy of formation: -542.8 #kJ/mol #05BRO/CUR -analytic -2.44247E+1 0E+0 3.54991E+4 0E+0 0E+0 ZrCl3(s) ZrCl3 = 3.000Cl- + 1.000Zr+4 + 0.500H2O - 1.000H+ - 0.250O2 log_k 62.215 delta_h -489.522 #kJ/mol # Enthalpy of formation: -760.1 #kJ/mol #05BRO/CUR -analytic -2.35454E+1 0E+0 2.55695E+4 0E+0 0E+0 ZrCl4(s) ZrCl4 = 4.000Cl- + 1.000Zr+4 log_k 28.600 delta_h -296.020 #kJ/mol # Enthalpy of formation: -980.8 #kJ/mol #05BRO/CUR -analytic -2.32604E+1 0E+0 1.54622E+4 0E+0 0E+0 ZrF2(s) ZrF2 = 2.000F- + 1.000Zr+4 + 1.000H2O - 2.000H+ - 0.500O2 log_k 75.600 delta_h -602.963 #kJ/mol # Enthalpy of formation: -956 #kJ/mol #97VIS/COR -analytic -3.00344E+1 0E+0 3.14949E+4 0E+0 0E+0 ZrF3(s) ZrF3 = 3.000F- + 1.000Zr+4 + 0.500H2O - 1.000H+ - 0.250O2 log_k 24.295 delta_h -321.432 #kJ/mol # Enthalpy of formation: -1433 #kJ/mol #97VIS/COR -analytic -3.20173E+1 0E+0 1.67895E+4 0E+0 0E+0 ZrF4(beta) ZrF4 = 4.000F- + 1.000Zr+4 log_k -27.250 delta_h -38.600 #kJ/mol # Enthalpy of formation: -1911.3 #kJ/mol #05BRO/CUR -analytic -3.40124E+1 0E+0 2.01622E+3 0E+0 0E+0 ZrI4(cr) ZrI4 = 4.000I- + 1.000Zr+4 log_k 44.590 delta_h -346.720 #kJ/mol # Enthalpy of formation: -488.9 #kJ/mol #05BRO/CUR -analytic -1.61526E+1 0E+0 1.81104E+4 0E+0 0E+0 ZrO2(cr) ZrO2 = - 4.000H+ + 1.000Zr+4 + 2.000H2O log_k -7.000 delta_h -79.560 #kJ/mol # Enthalpy of formation: -1100.6 #kJ/mol #05BRO/CUR -analytic -2.09383E+1 0E+0 4.1557E+3 0E+0 0E+0 ZrSiO4(s) ZrSiO4 = - 4.000H+ + 1.000H4(SiO4) + 1.000Zr+4 log_k -14.360 delta_h -35.494 #kJ/mol # Enthalpy of formation: -2034.2 #kJ/mol #05BRO/CUR -analytic -2.05783E+1 0E+0 1.85398E+3 0E+0 0E+0 illite-FeIII K0.85Fe0.25Al2.6Si3.15O10(OH)2 = 0.850K+ + 0.250Fe+3 + 2.600Al+3 - 9.400H+ + 3.150H4(SiO4) - 0.600H2O log_k 12.370 delta_h -262.282 #kJ/mol # Enthalpy of formation: -5795.39 #kJ/mol #15BLA/VIE -analytic -3.35798E+1 0E+0 1.36999E+4 0E+0 0E+0 # PMATCH GASES CH4(g) CH4 = 2.000H+ + 1.000CO3-2 + 1.000H2O - 2.000O2 log_k 130.910 delta_h -861.919 #kJ/mol # Enthalpy of formation: -74.873 #kJ/mol #98CHA -analytic -2.00915E+1 0E+0 4.50211E+4 0E+0 0E+0 CO(g) CO = 2.000H+ + 1.000CO3-2 - 1.000H2O - 0.500O2 log_k 28.350 delta_h -272.803 #kJ/mol # Enthalpy of formation: -110.53 #kJ/mol #89COX/WAG -analytic -1.9443E+1 0E+0 1.42495E+4 0E+0 0E+0 CO2(g) CO2 = 2.000H+ + 1.000CO3-2 - 1.000H2O log_k -18.150 delta_h 4.110 #kJ/mol # Enthalpy of formation: -393.51 #kJ/mol #89COX/WAG -analytic -1.743E+1 0E+0 -2.1468E+2 0E+0 0E+0 Cl2(g) Cl2 = 2.000Cl- - 1.000H2O + 2.000H+ + 0.500O2 log_k 2.990 delta_h -54.397 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #89COX/WAG -analytic -6.53993E+0 0E+0 2.84135E+3 0E+0 0E+0 H2(g) H2 = 1.000H2O - 0.500O2 log_k 42.990 delta_h -279.763 #kJ/mol # Enthalpy of formation: 0 #kJ/mol #89COX/WAG -analytic -6.0223E+0 0E+0 1.4613E+4 0E+0 0E+0 H2O(g) H2O = 1.000H2O log_k 1.500 delta_h -44.004 #kJ/mol # Enthalpy of formation: -241.826 #kJ/mol #89COX/WAG -analytic -6.20916E+0 0E+0 2.29849E+3 0E+0 0E+0 H2S(g) H2S = 1.000H+ + 1.000HS- log_k -8.000 delta_h 4.300 #kJ/mol # Enthalpy of formation: -20.6 #kJ/mol #89COX/WAG -analytic -7.24667E+0 0E+0 -2.24604E+2 0E+0 0E+0 HCl(g) HCl = 1.000H+ + 1.000Cl- log_k 6.290 delta_h -74.770 #kJ/mol # Enthalpy of formation: -92.31 #kJ/mol #89COX/WAG -analytic -6.80912E+0 0E+0 3.9055E+3 0E+0 0E+0 O2(g) O2 = 1.000O2 log_k -2.900 delta_h -12.134 #kJ/mol # Enthalpy of formation: 0 #kJ/mol -analytic -5.02578E+0 0E+0 6.33802E+2 0E+0 0E+0 SO2(g) SO2 = 2.000H+ + 1.000SO3-2 - 1.000H2O log_k -8.940 delta_h -48.420 #kJ/mol # Enthalpy of formation: -296.81 #kJ/mol #89COX/WAG -analytic -1.74228E+1 0E+0 2.52915E+3 0E+0 0E+0 #======================Hwang et al., 2021====================== SURFACE_MASTER_SPECIES # b_Bentonite, b_illite = Missana (2021) Bentonite_s Bentonite_sOH #s Bentonitea_w Bentonitea_wOH #w1 Bentoniteb_w Bentoniteb_wOH #w2 Febex_s Febex_sOH #s Hwang 20220113 Febexa_w Febexa_wOH #w1 Hwang 20220113 Illite_s Illite_sOH #s Illitea_w Illitea_wOH #w1 Illiteb_w Illiteb_wOH #w2 Illitemissana_s Illitemissana_sOH #s Hwang 20220113 Illitemissanaa_w Illitemissanaa_wOH #w1 Hwang 20220113 SURFACE_SPECIES #Montmorillonite SWY-1 Bentonite_sOH = Bentonite_sOH log_k 0.0 Bentonitea_wOH = Bentonitea_wOH log_k 0.0 Bentoniteb_wOH = Bentoniteb_wOH log_k 0.0 #bentonite properties with tirtation curve Bentonite_sOH + H+ = Bentonite_sOH2+ log_k 4.5 Bentonite_sOH = Bentonite_sO- + H+ log_k -7.9 Bentonitea_wOH + H+ = Bentonitea_wOH2+ log_k 4.5 Bentonitea_wOH = Bentonitea_wO- + H+ log_k -7.9 Bentoniteb_wOH + H+ = Bentoniteb_wOH2+ log_k 6.0 Bentoniteb_wOH = Bentoniteb_wO- + H+ log_k -10.5 #Strong site Bentonite_sOH + UO2+2 = Bentonite_sOUO2+ + H+ log_k 3.1 Bentonite_sOH + UO2+2 + H2O = Bentonite_sOUO2OH + 2H+ log_k -4.6 Bentonite_sOH + UO2+2 + 2H2O = Bentonite_sOUO2(OH)2- + 3H+ log_k -12.6 Bentonite_sOH + UO2+2 + 3H2O = Bentonite_sOUO2(OH)3-2 + 4H+ log_k -20.9 #Carbonate 20220701 Bentonite_sOH + UO2+2 + CO3-2 = Bentonite_sOUO2CO3- + H+ log_k 9.8 Bentonite_sOH + UO2+2 + 2CO3-2 = Bentonite_sOUO2(CO3)2-3 + H+ log_k 15.5 #Weak site Bentonitea_wOH + UO2+2 = Bentonitea_wOUO2+ + H+ log_k 0.5 Bentonitea_wOH + UO2+2 + H2O = Bentonitea_wOUO2OH + 2H+ log_k -5.7 #Carbonate 20220701 Bentonitea_wOH + UO2+2 + CO3-2 = Bentonitea_wOUO2CO3- + H+ log_k 9.3 #Illite Illite_sOH = Illite_sOH log_k 0.0 Illitea_wOH = Illitea_wOH log_k 0.0 Illiteb_wOH = Illiteb_wOH log_k 0.0 #Illite properties with tirtation curve Illite_sOH + H+ = Illite_sOH2+ log_k 4.0 #Bradbury 2009a, Geochi et Cosmo Illite_sOH = Illite_sO- + H+ log_k -6.2 #Bradbury 2009a, Geochi et Cosmo Illitea_wOH + H+ = Illitea_wOH2+ log_k 4.0 #Bradbury 2009a, Geochi et Cosmo Illitea_wOH = Illitea_wO- + H+ log_k -6.2 #Bradbury 2009a, Geochi et Cosmo Illiteb_wOH + H+ = Illiteb_wOH2+ log_k 8.5 #Bradbury 2009a, Geochi et Cosmo Illiteb_wOH = Illiteb_wO- + H+ log_k -10.5 #Bradbury 2009a, Geochi et Cosmo #Strong site Illite_sOH + UO2+2 = Illite_sOUO2+ + H+ log_k 2.0 #Bradbury and Baeyens, 2009b Illite_sOH + UO2+2 + H2O = Illite_sOUO2OH + 2H+ log_k -3.5 #Bradbury and Baeyens, 2009b 3.5 Illite_sOH + UO2+2 + 2H2O = Illite_sOUO2(OH)2- + 3H+ log_k -10.6 #Bradbury and Baeyens, 2009b 10.6 Illite_sOH + UO2+2 + 3H2O = Illite_sOUO2(OH)3-2 + 4H+ log_k -19.0 #Bradbury and Baeyens, 2009b 19 #Carbonate 20220809 Illite_sOH + UO2+2 + CO3-2 = Illite_sOUO2CO3- + H+ log_k 11.7 Illite_sOH + UO2+2 + 2CO3-2 = Illite_sOUO2(CO3)2-3 + H+ log_k 17.0 #Weak site Illitea_wOH + UO2+2 = Illitea_wOUO2+ + H+ log_k 0.1 #Bradbury 2005, Geochi et Cosmo Illitea_wOH + UO2+2 + H2O = Illitea_wOUO2OH + 2H+ log_k -5.3 #Bradbury 2005, Geochi et Cosmo #----------------------------------------------------------------Hwang 20220113 #b_Montmorillonite (FEBEX) Febex_sOH = Febex_sOH log_k 0.0 Febexa_wOH = Febexa_wOH log_k 0.0 #bentonite properties with tirtation curve Febex_sOH + H+ = Febex_sOH2+ log_k 4.8 Febex_sOH = Febex_sO- + H+ log_k -9.9 Febexa_wOH + H+ = Febexa_wOH2+ log_k 5.3 Febexa_wOH = Febexa_wO- + H+ log_k -8.4 #Strong site Febex_sOH + Eu+3 = Febex_sOEu+2 + H+ log_k 0.9 Febex_sOH + Eu+3 + 2H2O = Febex_sOEu(OH)2 + 3H+ log_k -12.2 Febex_sOH + Eu+3 + HCO3- = Febex_sOEuCO3 + 2H+ log_k -2.48 #Weak site Febexa_wOH + Eu+3 = Febexa_wOEu+2 + H+ log_k -0.05 Febexa_wOH + Eu+3 + 2H2O = Febexa_wOEu(OH)2 + 3H+ log_k -13.62 Febexa_wOH + Eu+3 + HCO3- = Febexa_wOEuCO3 + 2H+ log_k -3.36 #----------------------------------------------------- #b_Illite (Du_Puy)--------------------------- Hwang 20220113 Illitemissana_sOH = Illitemissana_sOH log_k 0.0 Illitemissanaa_wOH = Illitemissanaa_wOH log_k 0.0 #bentonite properties with tirtation curve Illitemissana_sOH + H+ = Illitemissana_sOH2+ log_k 4.5 Illitemissana_sOH = Illitemissana_sO- + H+ log_k -9.5 Illitemissanaa_wOH + H+ = Illitemissanaa_wOH2+ log_k 5.9 Illitemissanaa_wOH = Illitemissanaa_wO- + H+ log_k -9.5 #Strong site Illitemissana_sOH + Eu+3 = Illitemissana_sOEu+2 + H+ log_k 1.8 Illitemissana_sOH + Eu+3 + 2H2O = Illitemissana_sOEu(OH)2 + 3H+ log_k -11.53 Illitemissana_sOH + Eu+3 + HCO3- = Illitemissana_sOEuCO3 + 2H+ log_k -1.10 #Weak site Illitemissanaa_wOH + Eu+3 = Illitemissanaa_wOEu+2 + H+ log_k 0.6 Illitemissanaa_wOH + Eu+3 + 2H2O = Illitemissanaa_wOEu(OH)2 + 3H+ log_k -13.75 Illitemissanaa_wOH + Eu+3 + HCO3- = Illitemissanaa_wOEuCO3 + 2H+ log_k -2.10 EXCHANGE_MASTER_SPECIES Bentonite_ex Bentonite_ex- Illite_ex Illite_ex- Febex_ex Febex_ex- Illitemissana_ex Illitemissana_ex- EXCHANGE_SPECIES #Montmorillonite Bentonite_ex- = Bentonite_ex- log_K 0 Na+ + Bentonite_ex- = NaBentonite_ex log_K 0 2 NaBentonite_ex + UO2+2 = UO2(Bentonite_ex)2 + 2Na+ log_K 0.45 K+ + NaBentonite_ex = KBentonite_ex + Na+ log_K 0.57 #Missana 2021 2 NaBentonite_ex + Ca+2 = Ca(Bentonite_ex)2 + 2Na+ log_K 0.65 #Missana 2021 3 NaBentonite_ex + Al+3 = Al(Bentonite_ex)3 + 3Na+ log_K 1.50 #Missana 2021 #Illite Illite_ex- = Illite_ex- log_K 0 #Bradbury 2009a, Geochi et Cosmo Na+ + Illite_ex- = NaIllite_ex log_K 0 #Bradbury 2009a, Geochi et Cosmo K+ + NaIllite_ex = KIllite_ex + Na+ log_K 1.11 #Bradbury 2009a, Geochi et Cosmo 2 NaIllite_ex + Ca+2 = Ca(Illite_ex)2 + 2Na+ log_K 1.04 #Bradbury 2009a, Geochi et Cosmo #2 NaIllite_ex + Mg+2 = Mg(Illite_ex)2 + 2Na+ #log_K 1.04 #Bradbury 2009a, Geochi et Cosmo 3 NaIllite_ex + Al+3 = Al(Illite_ex)3 + 3Na+ log_K 1 #Bradbury 2009a, Geochi et Cosmo 2 NaIllite_ex + UO2+2 = UO2(Illite_ex)2 + 2Na+ log_K 0.65 #Bradbury 2009b, Geochi et Cosmo #b_Montmorillonite Febex_ex- = Febex_ex- log_K 0 Na+ + Febex_ex- = NaFebex_ex log_K 0 K+ + NaFebex_ex = KFebex_ex + Na+ log_K 0.57 2 NaFebex_ex + Ca+2 = Ca(Febex_ex)2 + 2Na+ log_K 0.65 3 NaFebex_ex + Al+3 = Al(Febex_ex)3 + 3Na+ log_K 1.50 3 NaFebex_ex + Eu+3 = Eu(Febex_ex)3 + 3Na+ log_K 2.00 #b_Illite Illitemissana_ex- = Illitemissana_ex- log_K 0 #Bradbury 2009a, Geochi et Cosmo Na+ + Illitemissana_ex- = NaIllitemissana_ex log_K 0 #Bradbury 2009a, Geochi et Cosmo K+ + NaIllitemissana_ex = KIllitemissana_ex + Na+ log_K 1.11 #Bradbury 2009a, Geochi et Cosmo 2 NaIllitemissana_ex + Ca+2 = Ca(Illitemissana_ex)2 + 2Na+ log_K 1.04 #Bradbury 2009a, Geochi et Cosmo 3 NaIllitemissana_ex + Al+3 = Al(Illitemissana_ex)3 + 3Na+ log_K 1 #Bradbury 2009a, Geochi et Cosmo 3 NaIllitemissana_ex + Eu+3 = Eu(Illitemissana_ex)3 + 3Na+ log_K 2.03 #Bradbury 2009b, Geochi et Cosmo #======================Hwang et al., 2021======================