Modeling Reaction Kinetics and Pharmacokinetics with COMSOL Multiphysics® - Archived
By integrating modeling and simulation into reaction engineering or pharmacokinetics, engineers gained new insights needed for developing more efficient, safer, and environmentally friendly processes while maintaining high quality standards.
The modeling of reaction engineering (RE) and physiologically based pharmacokinetics (PK) was based on definitions of material balances for different substances in a reactor (for RE) or compartment (for PK), typically starting with a space-independent 0D time-dependent model.
COMSOL Multiphysics® included specialized functionality for formulating these material balances with arbitrary kinetics for the involved chemical species (in RE) or substances (in PK). In addition, the software provided the ability to expand 0D reactor and compartment models to 2D and 3D geometries of real reactors and organs.
In this on-demand webinar, you will see how COMSOL Multiphysics® was used for modeling reaction kinetics and physiologically based pharmacokinetics. We demonstrated how to start with a 0D reactor or compartment model and expand it to a full 3D model of the reactor or organ. When setting up the kinetics, parameters such as initial concentrations or reaction rates were estimated from real-life measurements.
For optimization, uncertainty quantification (UQ), or simply exploring a large parameter space, engineers turned to deep neural network (DNN)-based surrogate models. The webinar showed how surrogate models were derived from multiphysics models to mitigate the computational power required for UQ or large parameter sweeps.
Register for Modeling Reaction Kinetics and Pharmacokinetics with COMSOL Multiphysics®
To register for the event, please create a new account or log into your existing account. You will need a COMSOL Access account to attend Modeling Reaction Kinetics and Pharmacokinetics with COMSOL Multiphysics®.
For registration questions or more information contact info-in@comsol.com.
Archived Webinar Details
This is a recording of a webinar that originally aired on September 11, 2025