Modeling Reaction Kinetics and Pharmacokinetics with COMSOL^® - Archived

By integrating modeling and simulation into reaction engineering or pharmacokinetics, engineers can gain new insight 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) is 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^® includes 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 includes the ability to expand 0D reactor and compartment models to 2D and 3D geometries of real reactors and organs.

Join us to learn about using COMSOL Multiphysics^® for modeling reaction kinetics and physiologically based pharmacokinetics. We will demonstrate 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, you might need to estimate parameters like initial concentrations or reaction rates from measurements. During this webinar you will see how parameters can be estimated from real-life measurements.

For optimization, uncertainty quantification (UQ), or simply to explore a large parameter space, engineers turn to deep neural network (DNN)-based surrogate models. During the webinar, you will see how surrogate models can be derived from your multiphysics model to mitigate the computational power needed for UQ or large parameter sweeps.