A three-phase nonequilibrium dynamic model for catalytic distillation

A detailed three-phase nonequilibrium (NEQ) dynamic model for simulating batch and continuous catalytic distillation (CD) processes has been developed. In this model, both molar and energy holdups in liquid and vapour phases are taken into account. Multicomponent mass transfer and heat transfer between vapour and liquid phases as well as between liquid and solid (catalyst) phases are described by the Maxwell–Stefan equations. The resulting differential and algebra equations in this model are implemented in gPROMS and C++. The simulation results are in good agreement with the experimental data obtained from the batch and continuous CD processes for the production of diacetone alcohol (DAA) using Amberlite IRA-900 as a catalyst. Sensitivity analysis on the mass transfer and kinetics using the three-phase NEQ dynamic model indicates that the formation of DAA is controlled by solid–liquid mass transfer, whereas the formation of mesityl oxide is kinetically controlled under the simulation conditions.