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Multiphysics modeling and simulation drives innovation across industries and academia — as is evidenced by the many uses showcased in the technical papers and posters presented by engineers, researchers, and scientists at the COMSOL Conference each year.

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Chemical Reaction Engineering

Model for Steam Reforming of Ethanol Using a Catalytic Wall Reactor

J. Torres[1], and D. Montane[2]
[1]Centre Huile Lourde Ouvert et Experimental (CHLOE), University of Pau, France
[2]Department of Chemical Engineering, Virgili University, Tarragona, Spain

Steam Reforming of Ethanol using a Catalytic Wall Reactor (CWR) was successfully studied using COMSOL Multiphysics. A mathematical model was used to describe the reactor performance in terms of the main variables and dimensionless groups. Simulations showed that at specified conditions ... Read More

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

D. Statler[1], and R. Gupta[2]
[1]Mid-Atlantic Technology, Research and Innovation Center, South Charleston, WV, USA
[2]Department of Chemical Engineering, West Virginia University, Morgantown, WV, USA

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 been extensively studied for char-forming polymers, such ... Read More

Design and Characterization of a Small Volume Reactor for the High Pressure Invacuo Study of Catalytic Surface Reactions

C. Clark[1,2], J. Fulton[3], T. Adams[3], E. Podgornov[4], and F. Zaera[4]
[1]Department of Chemical and Environmental Engineering, University of California, Riverside, CA, USA
[2]Naval Surface Warfare Center, Corona, CA, USA
[3]Naval Surface Warfare Center, Crane, IN, USA
[4]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 ... Read More

Mathematical Investigation and CFD Simulation of Monolith Reactors: Catalytic Combustion of Methane

M. Ghadrdan[1], and H. Mehdizadeh[2]
[1]Department of Chemical Engineering, Norwegian University of Science and Technology (NTNU), Trondheim, Norway
[2]Department of Chemical Engineering, Tarbiat Modares University, Tehran, Iran

Interest in the production of hydrogen from hydrocarbons has grown significantly recently. In order to achieve high surface to volume ratio with reasonable pressure drop, monolithic reactors are used. The goal of this work is to develop a two-phase (gas & solid) transient catalytic ... Read More

Simulation of a Diesel Oxidation Catalyst Used in a NO_x Storage and Reduction system for Heavy Duty Trucks

C. Odenbrand, and E. Senar Serra
Department of Chemical Engineering, Lund University, Lund, Sweden

This work concerns the performance of an oxidation catalyst used in a NOx storage and reduction system. The oxidation of NO is the main objective of this study, where the presence of CO and propene has also been taken into account. Experimental data has been determined on a monolithic ... Read More

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

A. Nagaraj[1], and P. Mills[2]

[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

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 ... Read More

Reacting Flows in Industrial Duct-burners of a Heat Recovery Steam Generator

G. Petrone[1], G. Cammarata[1], S. Caggia[2], and M. Anastasi[2]
[1]Department of Industrial and Mechanical Engineering, University of Catania, Catania, Italy
[2]Engineering Maintenance - ISAB Energy Services, Priolo Gargallo, Italy

In this study, COMSOL Multiphysics is applied in order to simulate reacting flows for duct burner systems arranged in the post-firing section of a Heat Recovery Steam Generator of a combined cycle power plant. Two- and three-dimensional simulations are carried out in order to ... Read More

Localization of Chemical Sources Using Stochastic Differential Equations in Realistic Environments

A. Mohammed, and A. Jeremic
McMaster University, Hamilton, L8S4K1, Canada

Signal processing algorithms for chemical sensing/monitoring have been subject of considerable research interest in the recent years mainly due to their diverse applicability. When the concentration of chemical agent is small, the dispersion of particles is governed by stochastic ... Read More

A Model of a Horizontal Atmospheric Pressure Chemical Vapor Deposition Reactor

T. Adams

Naval Surface Warfare Center Crane Division, CRANE, IN, USA

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 for reacting fluid flow of a compressible gas in ... Read More

Simulation of Surface Chemical Reactions in a Monolith Channel for Hydrogen Production

N. Pacheco[1], D. Pavone[1], K. Surla[1], J. Houzelot[2], and E. Schaer[2]
[1]IFP-Lyon, Solaize, France
[2]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 ... Read More

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