Model & Simulate Reaction Systems & Processes

COMSOL Inc.'s chemical reaction engineering module can simulate unit operations in chemical processes.

COMSOL Inc. recently released the chemical reaction engineering module to provide a single environment where engineers and scientists can obtain highly accurate studies of material transport and chemical reactions of a wide assortment of chemistries under different operating conditions. Users can simulate reaction systems ranging from micro-reactors in biotechnology to unit operations in chemical processes, and gain essential knowledge early in the development phase. Other features of the module include:

  • Automatic generation of reaction kinetics, mass and energy balances from chemical reaction formulas.
  • Allows combinations of perfectly mixed reactor models to detailed time- and space-dependent descriptions in one model.
  • Extensive interfaces for simulating mass transport by diffusion, convection and migration in dilute and concentrated solutions as well as in free and porous media.
  • Functionality for investigating different chemistries and operating conditions by adding and removing reactions, chemical species and mass transport effects in different studies in a single model.
  • Predefined chemical reactor types such as batch and semi-batch reactors,
  • CSTR, and plug flow reactors for continuous volume and variable volume
  • simulations
  • User-defined functions and expressions that extend usability for
  • defining arbitrary reaction kinetics and for describing physical
  • properties as a function of composition and temperature
  • CAPE-OPEN interface for rapid thermodynamics and physical property
  • calculations through connecting to third-party chemical engineering
  • simulation software
  • CHEMKIN file import for combustion, atmospheric chemistry, and
  • other gas-phase reacting systems