Model-based prediction of optimal conditions for 1-octene hydroformylation

After fitting the PC-SAFT parameters to pure component data the model was used to study the influence of product formation on the solubilities of H2 and CO. Finally, the reaction conditions were optimized in order to maximize the differential selectivity to the desired product n-nonanal. It is shown that the performance of the hydroformylation reaction system can be significantly increased by optimally controlling temperature, total pressure, and the amount of H2 and CO in the gas phase.