by TM. Negash, S. Gebreyohannes, J. Faria, T. Pham, D. Resasco K. Gasem, and B. J. Neely
Work was performed at: Oklahoma State University and the University of Oklahoma
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.
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 .
Figure: Model prediction of aqueous and organic phase composition against experimental data (Using UNIFAC-Aspen-regressed NRTL binary parameters)