Ibuprofen Synthesis

Model ID: 1307


Kinetic analysis of catalytic reactions is essential for understanding rate behavior as well as the reaction mechanism. Developing knowledge of intrinsic reaction kinetics and of rate equations is central to reaction engineering studies aimed at improving reactor design.

This model illustrates the reaction kinetics of a complex chemistry occurring in a perfectly stirred tank reactor. The homogeneous catalysis of 1-(4-isobutylphenyl) ethanol into the anti-inflammatory drug ibuprofen serves as the example chemistry. The model determines concentrations of reactants, intermediates, and products as functions of time for the network of chemical reactions.

The model focuses on the use of the Chemical Reaction Engineering Module for a kinetics investigation. You easily enter chemical reaction formulas from the keyboard, then the Reaction Engineering interface automatically generates rate expressions and material balances. It solves the equations, and you analyze results directly in the COMSOL Desktop.