L. R. de Souza Jr., L. Lorenz
Universidade Federal do Paraná, Curitiba, Paraná, Brazil
In the core of Chemical Engineering is the reactor design that includes most of all scientific disciplines. The reactors, in general, are treated ideally. Unfortunately, it is observed in the real world a very different behavior from that expected. Thus, to characterize nonideal reactors is used, among others, residence time distribution function E(t). The aim of this present work is to ...
E. Lacatus , G. C. Alecu , A. Tudor ,
 Politehnica University of Bucharest, București, Romania
At the forefront of a new generation of sensors graphene and graphene composite materials are intensively studied for medical and biosensing applications. The outstanding electrical, mechanical and quantum properties of graphene make them a promising material solution to overlap the existing gap between biological and non-biological systems into a continuum like-viscoelastic integrated model. ...
P. Patel, P. Vaidya, G. Singh
Indian Institute of Technology Bombay, Mumbai, Maharashtra, India
Indian Oil Corporation Limited, Faridabad, Haryana, India
This paper presents a simulation approach to develop a model for understanding the mixing phenomenon in a stirred vessel. The mixing in the vessel is important for effective chemical reaction, heat transfer, mass transfer and phase homogeneity. In some cases, it is very difficult to obtain experimental information and it takes a long time to collect the data. Such problems can be solved using ...
D. Nguemalieu. Kouetcha , H. Ramezani , N. Cohaut ,
 Université d’ Orléans, ICMN, UMR CNRS, Orléans France
 Ecole Polytechnique de l' Université d’ Orléans, Orléans, France
The accurate atomic potential determination is an essential task in the molecular simulations, e.g. Grand Canonical Monte Carlo (GCMC). The ab initio simulations using the quantum mechanics would of great interest in the computational physical chemistry. The numerical simulation of the adsorption phenomenon requires knowing the interactions parameters between the atoms that make up the systems ...
A. K. R. Paul , R. D. Pal ,
 CSIR-Central Electrochemical Research Institute, Karaikudi, Tamil Nadu, India
 Academy of Scientific and Innovative Research, Chennai, Tamil Nadu, India
A lithium-ion battery comprises of two intercalating electrodes separated by a membrane, sandwiched between aluminum and copper current collecting plates. The battery performance depends upon several parameters and its operating conditions. In this work we developed a model for a lithium iron phosphate battery and validated our results with experimental charge-discharge curves. We however note ...
S. Schlüter , E. Schieferstein , T. Hennig , K. Meller ,
 Fraunhofer UMSICHT, Oberhausen, Germany
Fuel vapor restraint systems are used in vehicles to avoid discharge of volatile hydrocarbons from fuel tanks. The topic of this paper is the proper operation of fuel vapor restraint systems depending on the composition of bioethanol-fuel-blends. Experimental data serve as input to a model built with COMSOL Multiphysics® to simulate the performance of fuel vapor restraint systems depending on ...
A. Nagaraj , P. L. Mills ,
 Texas A&M University - Kingsville, Kingsville, TX, USA
H2SO4 is a very important chemical commodity, and indeed, a nation’s H2SO4 production has been a reasonably good indicator of its industrial strength for the last century or so1,2. Nearly 350 MM tons of H2SO4 was produced in 20143.The demand for H2SO4 in United States exceeds the supply and hence to increase production, recycling and innovative clean technologies must be explored. From ...
K. M. Al-Shurman, H. Naseem
The Institute for Nanoscience & Engineering, University of Arkansas, Fayetteville, AR, USA
Chemical vapor deposition (CVD) is a promising effective method for synthesis of graphene films. CVD graphene film is obtained from hydrocarbon species such as CH4 through complex catalytic chemical reactions on the surface of the catalyst. Therefore, studying the catalytic reaction kinetics is essential process for understanding the thermal decomposition rate of methane on catalyst surface as ...
A. G. Dixon , D. S. Polcari , A. D. Stolo , M. Tomida ,
 Department of Chemical Engineering, Worcester Polytechnic Institute, Worcester, MA, USA
For design of radial flow fixed bed reactors, it is important to ensure proper flow distribution through the catalyst bed. A 2D axisymmetric model of a radial-flow reactor was used to evaluate flow maldistribution through the catalyst bed and the pressure drop through the reactor for a specified flow rate. Effects of different catalysts, screen sizes and flow direction were simulated. Factors ...
Analysis of Heat, Mass Transport, and Momentum Transport Effects in Complex Catalyst Shapes for Gas-Phase Heterogeneous Reactions Using COMSOL Multiphysics
A. Nagaraj, and P. Mills
Department of Electrical Engineering and Computer Science, Texas A&M University, Kingsville, TX, USA
Department of Chemical and Natural Gas Engineering, Texas A&M University, Kingsville, TX, USA
The global demand for sulfuric acid has been forecast to grow at an average of 2.6% per year from 2005 – 2010. The primary objective of this work is to analyze the performance of various heterogeneous catalyst shapes that have been proposed for the oxidation of SO2 to SO3 used in the manufacture of sulfuric acid. COMSOL Multiphysics provides a powerful numerical platform for simulation of ...