Researching with the COMSOL Reaction Engineering Lab
The COMSOL Reaction Engineering Lab allows you to study reaction kinetics in perfectly mixed systems or in one of several predefined reactors. Kinetic models can be compared and fine-tuned with experimental data, and then they can be exported to the Chemical Engineering Module for accurate reactor simulations. This includes:
Collage showing the chemistry, flow streamlines, concentration profile and chemical rate profile in a diesel filter.
- Automatic reaction setup—Simply type the chemical reaction formulas into the user interface, and the software automatically generates the rate expressions based on the mass action law. Any combination of reversible, irreversible, and equilibrium reactions can be included in a reaction model, while all rate expressions are also editable
- Predefined thermodynamic expressions—A library of predefined expressions provide an accurate description of thermodynamic properties for mass and energy balances as well as of transport properties for space-dependent models. Thermodynamic data can also be imported from NASA/JANAF and Chemkin data files
- Model calibration—It is possible to read in experimental data for model comparison and calibration, or perform parameter estimation and optimization by collaborating with MATLAB
- Advanced reactor design—You can export mass and energy balances and material data from the Reaction Engineering Lab to the Chemical Engineering Module to model spatial dependencies. Incorporate these balances with porous media, laminar and turbulent flow, and model mass transfer through Fickian and multicomponent diffusion as well as convection