COMSOL Conference 2013

Chemical Reaction Engineering

Chemical reaction engineering includes the design of chemical processes for applications such as carbon dioxide-water separation, catalytic oxidation, and energy production from biofuel cells. Conference attendees contributed the papers, presentations, and posters featured on this page that describe multiphysics modeling for an array of chemical applications.

Claus Process Reactor Simulation

J. Plawsky,

Rensselaer Polytechnic Institute, Troy, NY, USA

Modeling of Turbulent Combustion in COMSOL Multiphysics®

D. Lahaye1, L. Cheng2

1DIAM, EEMCS Faculty, TU Delft, The Netherlands
2Tsinghua University, Beijing, China

Developments in a Coupled Thermal-Hydraulic-Chemical-Geomechanical Model for Soil and Concrete

S.C. Seetharam, D. Jacques

Performance Assessments Unit, Institute for Environment, Health and Safety, Belgian Nuclear Research Centre (SCK•CEN), Mol, Belgium

Simulation of Gas/Liquid Membrane Contactor with COMSOL Multiphysics®

N. Ghasem, M. Al-Marzouqi, N. Abdul Rahim

UAE University, Al-Ain, United Arab Emirates

Turbulent Premixed Combustion with FGM in COMSOL Multiphysics®

R. Bastiaans

Eindhoven University of Technology, Eindhoven, The Netherlands

Modeling the Vanadium Oxygen Fuel Cell

F.T. Wandschneider1, M. Küttinger1, P. Fischer1, K. Pinkwart1, J. Tübke1, H. Nirschl2

1Fraunhofer-Institute for Chemical Technology, Pfinztal, Germany
2Karlsruhe Institute for Technology, Karlsruhe, Germany

Computational Fluid Dynamics for Microreactors Used in Catalytic Oxidation of Propane

S. Odiba, M. Olea, S. Hodgson, A. Adgar

Teesside University, School of Science and Engineering, Middlesbrough, United Kingdom

Numerical Simulation of Forced and Static Smoldering Combustion

S. Singer, W. H. Green

Massachusetts Institute of Technology, Cambridge, MA, USA

Modeling 3D Calcium Waves from Stochastic Calcium Sparks in a Sarcomere Using COMSOL Multiphysics®

L. T. Izu1, Z. Coulibaly2, B. Peercy2

1University of California-Davis, Davis, CA, USA
2University of Maryland, Catonsville, MD, USA

2-D Modeling of Underground Coal Gasification (UCG)

S. Mahajani1, S. Srikantiah1, G. Samdani1, A. Ganesh1, P. Aghalayam2

1Department of Chemical Engineering, Indian Institute of Technology Bombay, Mumbai, Maharashtra, India
2Indian Institute of Technology Madras, Chennai, India

Thermal Modeling of a Honeycomb Reformer Including Radiative Heat Transfer

J. Schöne, A. Körnig, W. Beckert

Fraunhofer IKTS, Dresden, Germany

Influence of Electrode Kinetics on Lithium-ion Battery Characteristics

H. Machrafi1,2, S. Cavadias2

1University of Liège, Thermodynamics of Irreversible Phenomena, Liège, Belgium
2University Pierre et Marie Curie, Laboratoire des Procédés Plasma et Traitement de Surface, Paris, France

Numerical Study of the Self-ignition of Tetrafluoroethylene in a 100-dm3-reactor

F. Ferrero1, M. Kluge1, R. Zeps1, T. Spoormaker2

1BAM Federal Institute for Materials Research and Testing, Berlin, Germany
2Chairman PlasticsEurope Fluoropolymers TFE Safety Task Force, Du Pont De Nemours, Dordrecht, The Netherlands

Numerical Model for Leaching and Transporting Behavior of Radiocesium in MSW Landfill

H. Ishimori1, K. Endo2, H. Sakanakura2, M. Yamada2, M. Osako2

1Ritsumeikan University, Kusatsu, Shiga, Japan
2National Institute for Environmental Studies, Tsukuba, Ibaraki Prefecture, Japan

Reactive Transport and Convective Mixing During CO2 Migration in a Saline Aquifer

E. Abarca, A. Nardi, F. Grandia, J. Molinero

Amphos21 Consulting, Barcelona, Spain

Simulation of the Plasma Generated in a Gas Bubble

L. Z. Tong

Keisoku Engineering System Co., Ltd., Tokyo, Japan

Singlet Oxygen Modeling for PDT Incorporating Local Vascular Oxygen Diffusion

T. C. Zhu, B. Liu

University of Pennsylvania, Philadelphia, PA, USA

Simulation of Reactive Transport in Porous Media: A Benchmark for a COMSOL-PHREEQC-Interface

D. Müller1, H. Francke1, G. Blöcher1, H. Shao2

1Helmholtz-Zentrum Potsdam Deutsches GeoForschungsZentrum GFZ, Potsdam, Brandenburg, Germany
2Helmholtz-Zentrum für Umweltforschung UFZ, Leipzig, Saxony, Germany

CO2 Storage Trapping Mechanisms Quantification

A. Nardi, E. Abarca, F. Grandia, J. Molinero

Amphos 21, Barcelona, Spain

Effects of Flow and Diffusion on Blood Coagulation in Platelet Poor Plasma: a Two-way Coupling Between Hemodynamics and Biochemistry

D. Magnabosco1,2, H. van Ooijen2, B. Bakker2, R. van den Ham2

1Politecnico di Milano, Milan, Italy
2Philips Research, Eindhoven, The Netherlands

Oxidation of Titanium Particles during Cold Gas Dynamic Spraying

A. Malachowska1, L. Pawlowski 1, A. Ambroziak 2, M. Winnicki 2, P. Sokolowski2

1University of Limoges, Limoges, France
2Wroclaw University of Technology, Wroclaw, Poland

Modeling Bioelectrochemical Systems for Waste Water Treatment and Bioenergy Recovery with COMSOL Multiphysics®

T. Oyetunde, D. Ofiteru, J. Rodriguez

Masdar Institute of Science and Technology, Abu Dhabi, United Arab Emirates

Analyte Capture from Liquid Samples: Size Matters

M. Weber, M. Reed

Yale University, New Haven, CT, USA

Electrochemical Study of Potential Materials for Cochlear Implant Electrode Array

N. Lawand, V. Lopez[1,2], P. French

1Delft University of Technology, Delft, The Netherlands
2Università degli studi di Napoli "Federico II", Naples, Italy

Optimization of DPF Structures with a 3D-Unit Cell Model

W. Beckert, M. Dannowski, L. Wagner, J. Adler

Fraunhofer IKTS, Dresden, Germany

Modeling Maillard Reaction and Thermal Transformations During Bread Baking

D. Papasidero, F. Manenti

Politecnico di Milano, Dipartimento di Chimica, Materiali e Ingegneria Chimica “Giulio Natta”, Milano, Italy

A COMSOL Multiphysics®-based Model for Simulation of Methane-Hydrate Dissociation by Injection of Superheated Carbon Dioxide

M. Gharasoo, C. Deusner, N. Bigalke, M. Haeckel

Department of Marine Geosystems, GEOMAR - Helmholtz Centre for Ocean Research, Kiel, Germany

Can Oscillatory Convection Accelerate Signal Propagation in Simple Epithelium?

M. Nebyla, M. Pribyl

Institute of Chemical Technology, Prague, Department of Chemical Engineering, Prague, Czech Republic

Modeling of a Biogas Steam Reforming Reactor for Solid Oxide Fuel Cell Systems

F. Cipitì

CNR-ITAE, Institute of Advanced Technologies for Energy, Messina, Italy

Simulation of Gravitational Instability During CO2 Absorption in a NaHCO3/Na2CO3 Solution

C. Wylock, A. Rednikov, B. Haut, P. Colinet

Université Libre de Bruxelles (ULB), Transfers, Interfaces and Processes (TIPs), Brussels, Belgium

Optimization of Around-The-End Hydraulic Mixer Using COMSOL Multiphysics®

S. Mohammadighavam, B. Kløve

University of Oulu, Department of Process and Environmental Engineering ,Oulu, Finland

Modeling of an Oxygenation-Aided 3D Culture for Functional Beta-Cell Expansion

S. Jin1, J. McReynolds1, X. Li2, J. Guan2

1Department of Biomedical Engineering, College of Engineering, University of Arkansas, Fayetteville, AR, USA
2Department of Materials Science and Engineering, The Ohio State University, Columbus, OH, USA

Coupled Palaehydrogeological Microbial and Geochemical Reactive Transport Model of the Olkiluoto Site (Finland)

P. Trinchero1, M. Luna1, J. Molinero1, G. Román-Ross1, F. Maia1, A. Nardi1, J. Löfman2, P. Pitkänen3, L. Koskinen3

1Amphos 21 Consulting, Barcelona, Spain
2VTT Energy, Finland
3Posiva Oy, Olkiluoto, Finland

Chromatographic Separation of Tröger’s Base in a Batch Column

A. Fayolas , M.G. Sanku, M. Pascoa, M. Xynou

KTH Royal Institute of Technology, Stockholm, Sweden

Relevance of Hydro-Mechanical-Chemical Processes Involved in the Construction and Operation of Copper Heap Leach Pads

M. Tincopa1, A. Nardi2, G. Roman-Ross2 , J. Molinero2

1Technic University of Catalonia (UPC), Barcelona, Spain
2Amphos 21 Consulting, Barcelona, Spain

Advancements in Carbon Dioxide and Water Vapor Separations Using COMSOL Multiphysics®

J. Knox, R. Coker, R. Cummings, C. Gomez, G. Schunk

NASA, Marshall Space Flight Center, Huntsville, AL, USA

ISBN: 978-0-9910001-5-9
ISSN: 2372-2215