D. Dalle Nogare and P. Canu
Department of Chemical Engineering Principles and Practice, University of Padova, Padova, Italy
This work investigates the effects of boundary conditions on the species profiles in heterogeneous catalysis, with low Péclet systems. Hydrogen combustion in Helium was chosen because of the high diffusivities. Furthermore, already at T=300°C over a Pt catalyst, kinetics is very fast and the composition gradients at the inlet extremely steep. The issue is analyzed with 1D models, ...
N. Pacheco, D. Pavone, K. Surla, J. Houzelot, and E. Schaer
IFP-Lyon, Solaize, France
ENSIC, Solaize, France
This paper intends to show a model of a monolithic reactor for the autothermal reforming process (ATR), a process that uses hydrocarbons to produce H2. The ATR chemical reactions take place on the surface of monolith channels coated with a catalyst. The isothermal ATR reactor is modeled using 42 catalytic surface chemical reactions that involve 13 solid species and 7 gas species. To solve the ...
M.K. Ghantasala, B.O. Asimba, A. Khaminwa, K.J. Suthar, D.C. Mancini
Department of Mechanical and Aeronautical Engineering, Western Michigan University, Kalamazoo, MI, USA
Advanced Photon Source, Argonne National Laboratory, Argonne, IL, USA
Physical Sciences and Engineering, Argonne National Laboratory, Argonne, IL, USA
The understanding of pH-sensitive hydrogel swelling response in different buffer environmental condition is essential for its use in different practical applications. This necessitates its simulation in steady state and transient conditions. This paper mainly deals with the details of the numerical simulation performed by developing coupled formulation of chemo-electro-mechanical behavior of ...
S. Singer, W. H. Green
Massachusetts Institute of Technology, Cambridge, MA, USA
Transient, two-dimensional (axisymmetric) simulations of a cigarette subject to realistic static and forward smoldering cycles were performed. The computational domain consists of a porous packed bed of tobacco and a filter surrounded by a thin, porous paper and a region of surrounding air. The governing equations include overall mass conservation, momentum conservation, conservation equations ...
R. Busqué , R. Torres , A. Husar , J. Grau 
 Escola Universitària d'Enginyeria Tècnica Industrial de Barcelona, Barcelona, Spain
 Institut de Robòtica i Informàtica Industrial CSIC-UPC, Barcelona, Spain
The storage of hydrogen as an absorbed element in metal hydride bottles is a promising technique for energy storage. In this work, a three-dimensional model of a charging process in a metal hydride container has been developed to simulate the absorption reaction and resultant heat and mass transport phenomena in metal hydride vessels. The model has been experimentally validated showing a good ...
F. Zonfrilli, V. Guida, L. Scelsi
Procter & Gamble Italia, Pomezia, Roma, Italy
Powder detergents containing sodium percarbonate and bleach activators undergo chemical decomposition when exposed to high relative humidity. Controlling the moisture intake in finished product packs is therefore a fundamental need in order to guarantee product stability during the whole supply chain. In this paper we show how we have leveraged COMSOL Multiphysics capability in order to model ...
O. Silva , E. Abarca , J. Molinero , U. Kautsky 
 Amphos 21 Consulting, Barcelona, Spain
 Swedish Nuclear Fuel and Waste Management Co., Stockholm, Sweden
Radionuclide sorption is often simulated using a lumped approach where retention processes are represented by the distribution coefficient (Kd), which relates the radionuclide mass retained in the solid phase to its aqueous concentration. Classical Kd-based simulations rely on two strong assumptions: Kd depends on soil properties and is constant in time. However, sorption processes depend also ...
D.Wu, E. Van den Bulck
Katholieke Universiteit Leuven, Department of Mechanical Engineering, KU Leuven, Belgium
Introduction Self-heating behaviour of dust accumulations is a multiphysics field coupled heat and mass transfer in the porous media. A typical experimental apparatus with a hot storage oven and mesh wire baskets has been taken as the study object. The influence of gas flow velocity, oxygen concentration and ambient temperature on the self-heating behaviour of the dry coal dust sample has been ...
Design and Characterization of a Small Volume Reactor for the High Pressure Invacuo Study of Catalytic Surface Reactions
C. Clark[1,2], J. Fulton, T. Adams, E. Podgornov, and F. Zaera
Department of Chemical and Environmental Engineering, University of California, Riverside, CA, USA
Naval Surface Warfare Center, Corona, CA, USA
Naval Surface Warfare Center, Crane, IN, USA
Department of Chemistry, University of California, Riverside, CA, USA
The design and construction of ultra-high vacuum (UHV) systems for the study of surface reactions has lead to high impact innovation in a myriad of industries. A small volume reactor compatible with ultrahigh vacuum (UHV) surface-science instrumentation has been designed, modeled and tested for the study of the kinetics of surface chemical reactions on single crystals. CO oxidation experiments ...
Simulation and Design of a Microfluidic Respirometer for Semi-Continuous Amperometric Short Time Biochemical Oxygen Demand (BODST) Analysis
F.J. del Campo, A. Torrents, J. Mas, F.X. Muñoz
Instituto de Microelectronica de Barcelona, IMB-CNM (CSIC), Campus Universitat Autònoma de Barcelona, Bellaterra, Barcelona, Spain
Departement de Genètica i Microbiologia, Campus Universitat Autònoma de Barcelona, Bellaterra, Barcelona, Spain
Introduction: This work presents the design of a novel flow cell based miniaturized electrochemical respirometer to monitor organic content in water samples semi-continuously, in contrast to current Biochemical Oxygen Demand, BOD, methods. Simulation techniques has been used to parameterize and optimize aspects such as height and length of the channels, materials and thickness, flow and oxygen ...