Reactive distillation modelling and sensitivity analysis based on NEQ model

Abstract

Firstly, a non-equilibrium model (or NEQ model)has implemented for multi component reactive separation processes. The mass transfer description is based on the Maxwell Stefan approach and the hydrodynamics on the film theory model. We have excluded other restrictive assumptions. The code calculation is implemented in the simulation software ProSim PlusTM. Secondly, an experimental packed reactive distillation pilot has been developed in order to obtain experimental. The experiments were performed for homogeneously catalysed esterification of acid acetic and methanol into methyl acetate and water. Five runs have been performed for which the inlet flow rate and compositions, as well as the concentration in catalyst are modified. For each run, the simulation results are in good agreement with the vapour composition and the liquid temperature profile, without any parameter adjustment. Finally, a sensitive analysis of the NEQ model parameters has been done. It seems for the various physical parameters (e.g. the liquid and vapour film thickness, the liquid hold-up and the interfacial area), that the interfacial area is the most sensitive. For the other parameters, their sensitivity depends where the reaction and the mass transfer resistance take place. Moreover, a step discretisation analysis in regard to the axial coordinates shows that the type of flow inside the column could be compared to a plug flow. In addition, the need of taking into account the reaction contribution in the diffusional layers is clearly shown. © 2005 Elsevier B.V. All rights reserved.