Non equilibrium model and experimental validation for reactive distillation

Abstract

Firstly, a non equilibrium model is developed in order to simulate non ideal multicomponent reactive separation processes. This model is characterised by mass and energy transfer description completed up by hydrodynamics consideration based on the film theory model. The Maxwell Stefan approach is used for the description of mass transfer without restrictive hypotheses. Moreover, there are no restrictive hypotheses about the type and localisation of the chemical reactions. Secondly, the numerical analyse of this model end in the setting up of a sure and stable strategy, specially to the differentiation index and the initialisation coherence. Thirdly, an experimental apparatus is set up in order to validate the numerical results. It represents a section of a packing distillation column fed by two fully controlled flows. The experiments were performed for the homogeneously catalysed esterification of acid acetic and methanol to produce methyl acetate and water. Several runs have been realised by varying the flow rates and compositions of the feeds, as well as the concentration of catalyst. For each one, the simulation results are in good agreement with the vapour composition and the liquid temperature profile, without any parameter adjustment. In addition, the need of taking into account reaction contribution in the diffusional layers is clearly proofed.