The Chemical Reaction Engineering Module User’s Guide is a consummate guide to using COMSOL Multiphysics and the add-on module Chemical Reaction Engineering Module. The information in this guide is specific for this module. Instructions how to use COMSOL in general are included with the
COMSOL Multiphysics Reference Manual. The
Introduction to the Chemical Reaction Engineering Module contains a quick-start guide to help you get started using this module.
The Reaction Engineering Interface, which is found under the Chemical Species Transport branch, has all of the tools required to simulate chemical reaction kinetics, is described in detail for the
Theory for the Reaction Engineering and Chemistry Interfaces.
The transport and conversion of chemical compounds is denoted as chemical species transport. The Chemical Species Transport Interfaces chapter describes the Transport of Diluted Species, Transport of Diluted Species in Porous Media, and Transport of Concentrated Species interfaces, which are used for the simulation of chemical reactions, and mass chemical compounds transport through diffusion, convection, and electromigration. It also includes the Surface Reactions interface, which models reactions involving surface adsorbed species and species in the bulk of a reacting surface. The Nernst-Planck, The Electrophoretic Transport, Reacting Flow, Laminar Flow, and Transport of Diluted Species in Porous Media interfaces are also described in this chapter.
The chapter Chemical Species Transport Interfaces also describes the following multiphysics interfaces included in the Chemical Reaction Engineering Module: Reacting Flow, Reacting Flow in Porous Media, Nonisothermal Reacting Flow, Dispersed Two-Phase Flow with Species Transport, Vapor-Liquid Equilibrium, and Precipitation and Crystallization.
Overview of Chemical Species Transport Interfaces helps you select the best physics interface to use. The rest of the chapter describes the physics interfaces in detail as well as the underlying theory.
The Fluid Flow Interfaces chapter describes the physics interfaces under the Porous Media and Subsurface Flow branch, which are the Darcy’s Law, Brinkman Equations, Free and Porous Media Flow, Brinkman and Free and Porous Media Flow, Darcy interfaces. To help you select the physics interface to use, see
Modeling Fluid Flow.
The chapter Thermodynamics describes how to use the thermodynamics functionality to define thermo-physical and transport properties. The properties in turn can be used when simulating chemical reaction systems, or any type of transport model involving mass transfer, fluid flow, or heat transfer.
