Process Simulation and Modeling of a Biphasic Reactor

 

Scientific Achievement

An algorithm for the modeling of biphasic catalytic reactors, where simultaneous chemical reaction and phase distribution occurs, was implemented and validated using the hydrogenation of p-hydroxybenzaldehyde as a prototype reaction.

Significance and Impact

Phase behavior modeling and process simulation can be utilized to predict compositional dynamics and reduce the dependency on experimental data in the design and scale-up of biphasic reactors .

Research Details

• The heterogeneous reaction was modeled using a Langmuir-Hinshelwood isotherm while assuming the surface reaction as the limiting step.
• The Non-Random Two-Liquid (NRTL) thermodynamic model was used to represent the phase distribution.

 

 

 

Figure: Model prediction of aqueous and organic phase composition against experimental data (Using UNIFAC-Aspen-regressed NRTL binary parameters)