Modelling of homogeneously catalysed reactive distillation processes in packed columns: Experimental model validation

The design of reactive distillation processes requires reliable and accurate models to significantly decrease the expensive and time consuming experimental work. Different modelling approaches of varying complexity are available in the open literature. However, only few publications exist in which the question of the optimal modelling depth is discussed for homogeneously catalysed processes. Unlike these publications, we used experimental data in the present study to compare them with simulation results using different modelling depths for homogeneous reactive distillation processes. The nonequilibrium-stage model using the Maxwell–Stefan equations, the nonequilibrium-stage model using effective diffusion coefficients, the equilibrium-stage model including reaction kinetics, and the equilibrium-stage model assuming chemical equilibrium were investigated. The homogeneously catalysed transesterification of dimethyl carbonate with ethanol, for which pilot-scale experimental data were available, was used as a test system.

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► Question of optimal modelling depth is discussed based on experimental results.
► Assumption of chemical equilibrium was not sufficient for a proper description.
► Consideration of reaction kinetics improved accuracy of simulation results.
► Nonequilibrium-stage models led to best agreement between experiment and simulation.
► Consideration of nonideal mixing behaviour of liquid distributors improved results.