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Ibuprofen Synthesis

Application 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.

This model is included as an example in the following products:

Chemical Reaction Engineering Module

The combination of COMSOL® products required to model your application depends on several factors and may include boundary conditions, material properties, physics interfaces, and part libraries. Particular functionality may be common to several products. To determine the right combination of products for your modeling needs, review the Specification Chart and make use of a free evaluation license. The COMSOL Sales and Support teams are available for answering any questions you may have regarding this.