Rensselaer Polytechnic Institute, Troy, NY, USA
A model was developed to simulate the reaction, concentration field, flow field, and temperature distribution inside a Claus reactor for converting hydrogen sulfide to sulfur. The model considered two ideal reactors, a continuous stirred tank reactor and a plug flow reactor. As expected, two ideal reactors showed much different behaviors in terms of reactant conversion and operating ...
A. Nanduri , P. L. Mills ,
 Department of Chemical and Natural Gas Engineering, Texas A&M University - Kingsville, Kingsville, TX, USA
In the early 1920’s, Gas-To-Liquids (GTL) and Coal-To-Liquids (CTL) technologies were developed to account for the depleting crude oil resources . During this period, Franz Fischer and Hans Tropsch developed a process to convert synthesis gas (syn gas), derived from coal gasification, to a wide range of high value-added products. This process later came to be known as Fischer-Tropsch (F-T) ...
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 ...
H. Bakhtiary, F. Hayer, H. Venvik, A. Holmen
Norwegian University of Science and Technology Trondheim
Methanol synthesis is a typical reaction in heterogeneous catalysis. In this work, we have studied a laboratory fixed-bed reactor packed with a Cu/Zn/Al2O3 catalyst in both adiabatic and isothermal tubular operational modes. A methanol synthesis kinetic model was implemented in COMSOL Reaction Engineering Lab. Both 1D and 2D pseudo-homogeneous dispersion models were applied to describe the mass ...
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. Odiba, M. Olea, S. Hodgson, A. Adgar
Teesside University, School of Science and Engineering, Middlesbrough, United Kingdom
This research deals with the design of suitable microreactors for the catalytic oxidation of volatile organic compound (VOCs), using propane as a model molecule. The microreactor considered consists of eleven parallel channels, in which an Au/Cr/γ-Al2O3-catalyzed combustion reaction takes place. Each channel is 0.5 mm diameter and 100 mm long. The catalytic microreactor was simulated for ...
K. Cluff, L. Saeednia, H. Mehraein , R. Asmatulu
Department of Bioengineering, Wichita State University, Wichita, KS, USA
Department of Mechanical Engineering, Wichita State University, Wichita, KS, USA
Polymeric hydrogel is a promising class of drug delivery systems with the controlled release behavior in the body. In-situ forming hydrogels can be injected into the body as a fluid which forms a gel within the body tissue and improve the efficacy of the drugs. Various polymers have been used as in-situ hydrogel formulations. These polymeric formulations can form gels at body temperature while ...
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 ...
CFD Modeling and Analysis of a Planar Anode Supported Intermediate Temperature Solid Oxide Fuel Cell - new
N. Lemcoff, M. Tweedie
Rensselaer Polytechnic Institute Hartford, Hartford, CT, USA
Enthone, West Haven, CT, USA
A planar anode-supported intermediate temperature solid oxide fuel cell operating on syngas fuel at 750°C was analyzed in this study. The effects of varying syngas fuel inlet compositions on species and temperature distributions, water gas shift reaction rate, potential for carbon formation and electrochemistry were considered. A 2-D COMSOL® model was developed which included separate defined ...