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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

Modelling of the Temporal Analysis of Products (TAP) Reactor with COMSOL

S. Pietrzyk[1], A. Khodakov[1], and M. Olea[2]
[1]Unite de Catalyse et de Chimie du Solide, USTL-ENSCL-EC Lille, Villeneuve d’Ascq, France
[2]School of Science and Technology, University of Teesside, Middlesbrough, UK

A TAP reactor is a fixed-bed catalytic reactor operated in pulse (transient) mode under very low pressures. It has become a very important tool in catalytic studies as it fills the material and pressure gaps existing between practical conditions and high vacuum – monocrystal techniques. ... Read More

Kinetics and Reactor Modeling of Methanol Synthesis from Synthesis Gas

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 ... Read More

Pseudo 3-D Simulation of a Falling Film Microreactor

M. Al-Rawashdeh[1,2], V. Hessel[1,2], P. Löb[1], and F. Schönfeld[1]
[1]Institut für Mikrotechnik Mainz GmbH, Mainz, Germany
[2]Department of Chemical Engineering and
Chemistry, Eindhoven University of Technology, Eindhoven, Netherlands

Gas-liquid falling film microreactors carry out fast exothermic and mass transfer limited reactions. Since the major rate limiting steps occur on the liquid side, it is important to account for a realistic liquid film profile within the reactor simulation. Based on realistic channel ... Read More

Simulation of the Acoustic Environment for the Manufacture of Graded Porosity Materials by Sonication

C. Torres-Sanchez, and J. R. Corney
University of Strathclyde, United Kingdom

Many materials require functionally graded cellular microstructures whose porosity is engineered to meet specific requirements of diverse applications. It has been shown in previous work that the bubble growth rate of a polymeric foam can be influenced by the surrounding acoustic ... Read More

Study of the CO2 Transfer Rate in a Reacting Flow for the Refined Sodium ...

Study of the CO₂ Transfer Rate in a Reacting Flow for the Refined Sodium Bicarbonate Production Process

C. Wylock[1], A. Larcy[1], P. Colinet[1], T. Cartage[2], and B. Haut[1]
[1]Université Libre de Bruxelles, Brussels, Belgium
[2]Solvay S.A., Brussels, Belgium

This work deals with the quantification of the CO2 transfer rate from a bubble to the surrounding liquid in a bubble column. A model is successfully developed using COMSOL Multiphysics. The validated model is used to study the enhancement influence of chemical reactions on the transfer ... Read More

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

M. Fütterer
Institut für Automatisierungstechnik, Otto-von-Guericke Universität, Magdeburg, Germany

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 feedings and drains are changed cyclically to ... Read More

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

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