Modeling Reaction Kinetics and Pharmacokinetics (In-person)

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 and physiologically based pharmacokinetics is based on definitions of material balances 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 or substances. In addition, the software includes the ability to expand 0D models to 2D and 3D geometries of real reactors and organs.

The workshop will cover examples like metabolic reaction networks, pharmacokinetic modeling of an eye including both diffusive and convective transport, and drug release from a biomaterial matrix along with enzyme catalyzed matrix degradation.

When setting up the kinetics, you might also need to estimate parameters like initial concentrations or reaction rates from measurements. During this workshop you will therefore see how model parameters can be estimated from real-life measurements.

It will also be shown how deep neural network (DNN)-based surrogate models can be derived from multiphysics models to mitigate the computational power needed for example for uncertainty quantification (UQ) or large parameter sweeps.

Join this workshop to discuss the possibilities and optionally stay for the hands-on session, where you will learn how to setup a multiphysics model.

Schedule

13:00 Overview of the reaction kinetic and pharmacokinetic modeling capabilities in COMSOL Multiphysics^®

13:45 Break

14:00 Hands-on (optional): Learn how to use COMSOL Multiphysics^® and get best practice tips

16:00 Thank you for today

Hands-On Session

For the hands-on session, please bring a laptop to maximize your learning experience. You’ll also have the opportunity to start your free two-week trial of COMSOL Multiphysics^® on-site.

Reserve your seat now for this free event!