Papers & Presentations

Showing results 1 - 20 of 84

Chemical Reaction Engineering

2D multiphysics CFD modeling of an ARP carbothermic reactor 2D multiphysics CFD modeling of an ARP carbothermic reactor

Carbothermic reduction is an alternative to the conventional Hall-Héroult electrolysis process, characterized by cost and environmental advantages, and challenging complexity. Process technology encompasses a wide spectrum of phenomena...
COMSOL Conference 2005, Boston
Gerogiorgis, D.I.
Centre for Process Systems Engineering, Imperial College, South Kensington, London, U.K.

Acid-Base Reactions Enhancing Membrane Separation: Model Development and Implementation Acid-Base Reactions Enhancing Membrane Separation: Model Development and Implementation

Reactive extraction of organic acids from an aqueous solution to an alkaline stripping fluid is based on a selective barrier allowing permeation of non-polar molecules, which subsequently react with the stripping agent. The shift from the...
COMSOL Conference 2009, Milan
C. Bayer1 , S. Stiefel1 , M. Follmann1 , and T. Melin1
1 AVT Chemical Process Engineering, RWTH Aachen University, Aachen, Germany

Adaptive Control of Simulated Moving Bed Plants Using Comsol’s Simulink Interface Adaptive Control of Simulated Moving Bed Plants Using Comsol’s Simulink Interface

Preparative chromatography is an important separation method where the simulated moving bed (SMB) technology is an increasingly used separation process for binary mixtures. Several chromatographic columns are arranged in a ring where the...
COMSOL Conference 2008, Hannover
M. Fütterer
Institut für Automatisierungstechnik, Otto-von-Guericke Universität, Magdeburg, Germany

A Finite Element Analysis on the Modeling of Heat Release Rate, as Assessed by a Cone Calorimeter, of Char Forming Polycarbonate A Finite Element Analysis on the Modeling of Heat Release Rate, as Assessed by a Cone Calorimeter, of Char Forming Polycarbonate

During the pyrolysis and combustion of polymers, heat is released and is typically measured with a cone calorimeter to better assess the polymer’s flammability. Modeling heat release rate, as assessed by cone calorimetry, has not...
COMSOL Conference 2008, Boston
D. Statler1 , and R. Gupta2
1 Mid-Atlantic Technology, Research and Innovation Center, South Charleston, WV, USA
2 Department of Chemical Engineering, West Virginia University, Morgantown, WV, USA

A Model of a Horizontal Atmospheric Pressure Chemical Vapor Deposition Reactor A Model of a Horizontal Atmospheric Pressure Chemical Vapor Deposition Reactor

A model of a horizontal atmospheric pressure chemical vapor deposition reactor was implemented to aid in the design of a laboratory based one. The model coupled momentum transport, energy transport, and mass transport phenomena to account...
COMSOL Conference 2008, Boston
T. Adams
Naval Surface Warfare Center Crane Division, CRANE, IN, USA

A multiphysics approach of the styrene free radical polymerization modeling performed in different microreactors A multiphysics approach of the styrene free radical polymerization modeling performed in different microreactors

This paper investigates the modeling of styrene free radical polymerization in two different types of microreactor for which the wall temperature is kept constant. The simulations are performed with the help of FEMLAB 3.1 to solve...
COMSOL Conference 2005, Boston
Serra, C., Sary, N., Schlatter, G.
LIPHT-CNRS UMR 7165, ECPM-ULP Strasbourg

Analysis and Modelling of a Low NOx “Swirl Burner” Analysis and Modelling of a Low NOx “Swirl Burner”

A three dimensional numerical simulation of the fluid dynamics of a swirling gas jet is proposed in this study. In the present paper we discuss a three-dimensional numerical simulation of a turbulent swirling jet entering a combustion...
COMSOL Conference 2005, Boston
Alecci, M., Cammarata, G., Petrone, G.
Università degli Studi di Catania, Dipartimento di Ingegneria Industriale e Meccanica, Catania, Italia

Analysis of Heat, Mass Transport, and Momentum Transport Effects in Complex Catalyst Shapes for Gas-Phase Heterogeneous Reactions Using COMSOL Multiphysics Analysis of Heat, Mass Transport, and Momentum Transport Effects in Complex Catalyst Shapes for Gas-Phase Heterogeneous Reactions Using COMSOL Multiphysics

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...
COMSOL Conference 2008, Boston
A. Nagaraj1 , and P. Mills2
1 Department of Electrical Engineering and Computer Science, Texas A&M University, Kingsville, TX, USA
2 Department of Chemical and Natural Gas Engineering, Texas A&M University, Kingsville, TX, USA

A theoretical and experimental analysis of membrane bioreactors behavior in unsteady-state conditions A theoretical and experimental analysis of membrane bioreactors behavior in unsteady-state conditions

The behavior of hollow fiber membrane bioreactors operating in recycle configuration is characterized from both theoretical and experimental point of view. The theoretical model is based on the unsteady-state balance equations governing...
COMSOL Conference 2005, Boston
Curcio, S.
Department of Chemical Engineering and Materials University of Calabria, Rende (CS), ITALY

Autothermal Reforming of a Hydrocarbon Fuel in a Monolithic Reactor Autothermal Reforming of a Hydrocarbon Fuel in a Monolithic Reactor

In this paper, we perform simulations of the auto-thermal reforming of a hydrocarbon fuel in a monolithic reactor. The partial differential equations describing mass, heat and momentum transport were formulated and solved using COMSOL...
COMSOL Conference 2006, Copenhagen
D. Creaser
Chalmers University of Technology, Sweden

Catalytic Reactions under Non-steadystate Conditions Catalytic Reactions under Non-steadystate Conditions

In this paper, we present the modeling of catalytic reactions under non-steadystate conditions. Particularly, we study the Fisher-Tropsch reaction in a pulse reactor.
COMSOL Conference 2006, Paris
S. Pietrzyk, F. Dhainaut, A. Khodakov, and P. Granger
Université de Lille

Chemical Pulse Dynamics and Control in Microdesigned Catalysts: Phenomena, Modeling and Computational Wrappers Chemical Pulse Dynamics and Control in Microdesigned Catalysts: Phenomena, Modeling and Computational Wrappers

We study the effect of two-dimensional composite catalyst geometry and spatiotemporal laser heating on the dynamics of CO oxidation on a Pt (110) surface. The project involves a combination of modeling, computation and...
COMSOL Conference 2006, Boston
L. Qiao, and I.G. Kevrekidis
Department of Chemical Engineering, Princeton University

Chemical Reactions in a Microfluidic T-Sensor: Numerical Comparison of 2D and 3D Models Chemical Reactions in a Microfluidic T-Sensor: Numerical Comparison of 2D and 3D Models

In recent years lab-on-microchip technology has become a powerful tool for micro-scale analysis of biochemical processes. In the studied system the overall process consists of transport, convection, diffusion, reaction and adsorption...
COMSOL Conference 2009, Milan
R. Winz1 2 , N. Schröder1 , W. Wiechert1 , and E. von Lieres1
1 Institute of Biotechnology 2, Research Centre Jülich, Jülich, Germany
2 Research Center for Micro and Nanochemistry, University of Siegen, Siegen, Germany

CO2 capture by means of chemical looping combustion CO2 capture by means of chemical looping combustion

In a search of concepts for innovative reactors allowing CO2 capture in gas turbine, monolith based chemical looping combustion has been identified as a promising concept. A precise simulation of the chemical looping combustion in a...
COMSOL Conference 2005, Boston
Pavone, D.
IFP, Lyon, Vernaison, France

Combustion of Lean Methane in a Catalytic Flow Reversal Reactor Combustion of Lean Methane in a Catalytic Flow Reversal Reactor

The combustion of lean methane in a catalytic flow reversal reactor (CFRR) is studied using COMSOL Multiphysics and a 2D continuum model. This model is based on mole and energy balance equations for the solid (the inert and catalytic...
COMSOL Conference 2006, Boston
C. Devals1 , A. Fuxman2 , F. Bertrand,1 , J.F. Forbes2 , and R.E. Hayes2
1 École Polytechnique de Montréal,
2 University of Alberta

Computations on the coupled heat and mass transfer during fires in bulk materials, coal deposits and waste dumps Computations on the coupled heat and mass transfer during fires in bulk materials, coal deposits and waste dumps

In porous combustible matter low-rate oxidation takes place at ambient conditions. In large stockpiles of bulk goods, coal heaps, waste dumps etc. it may occur that the heat released by the oxidation reaction is not fully transmitted to...
COMSOL Conference 2005, Boston
Krause, U., Schmidt, M., Lohrer, C.
Federal Institute for Materials Research and Testing (BAM), Division II.2 “Reactive Substances and systems”, Berlin, Germany

COMSOL simulations using a comprehensive model for gas fluidized-bed reactors COMSOL simulations using a comprehensive model for gas fluidized-bed reactors

COMSOL (formerly FEMLAB) is being utilized to solve partial differential equations simulating fluidized bed reactors as part of the development of a novel generalized fluidized-bed catalytic reactor model. Simulations are carried out to...
COMSOL Conference 2005, Boston
Mahecha-Botero, A., Elnashaie, S.S.E.H., Grace, J.R., Lim, C.J.
Department of Chemical and Biological Engineering, University of British Columbia, East Mall, Vancouver, BC, Canada

Controlled Hydrogen Peroxide Decomposition for a Solid Oxide Fuel Cell (SOFC) Oxidant Source with a Microreactor Model Controlled Hydrogen Peroxide Decomposition for a Solid Oxide Fuel Cell (SOFC) Oxidant Source with a Microreactor Model

A microchannel reactor for hydrogen peroxide decomposition is being developed for integration with fuel cell systems that can power undersea vehicles. However, the catalytic decomposition of H2O2 is predisposed to thermal runaway.A...
COMSOL Conference 2007, Boston
E. Lennon1, A. Burke2, and R. Besser1
1CBME Department, Stevens Institute of Technology, Hoboken, NJ, USA
2Naval Undersea Warfare Center, Newport, RI, USA

Coupling Miscible Flow and Geochemistry for Carbon Dioxide Flooding into North Sea Chalk Reservoir Coupling Miscible Flow and Geochemistry for Carbon Dioxide Flooding into North Sea Chalk Reservoir

As an effective method to cope with green-house gas emission, and to enhance oil recovery, injection of carbon dioxide into oil reservoirs has obtained increasing attentions. The flooding process involves complex phase behavior among oil,...
COMSOL Conference 2009, Milan
B. Niu1 , W. Yan1 , A.A. Shapiro1 , and E.H. Stenby1
1 Department of Chemical and Biochemical Engineering, Technical University of Denmark, Kgs. Lyngby, Denmark

Coupling of Catalytic Endothermic and Exothermic Reactions by CPR Coupling of Catalytic Endothermic and Exothermic Reactions by CPR

Mathematical modelling of a catalytic plate reactor for methane steam reforming with COMSOL Multiphysics was carried out. The model reactor includes three channels where methane combustion occurs on the plates bordering the inner side...
COMSOL Conference 2006, Milan
S. Vaccaro, G. Ferrazzano, and P. Ciambelli
Università di Salerno