How to define a catalyst in catalytic reaction distillation simulation
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Recently, I helped someone with a simulation of catalytic reaction distillation: lactic acid + isobutyl ester + catalyst (supported silico-tungstic heteropolyacid) —— isobutyl lactate. The question is as stated in the title; those who are familiar with such simulations would be appreciated if they could offer some guidance. Thank you!
As I understand it, the catalyst can be specified among the components, but its effect is reflected in the kinetics equation of the reaction; in the simulation, you just need to specify which trays undergo the reaction (the trays in the reaction section).
The reaction specified in the tray refers to either: (1) A+B→C, with changes in its kinetic parameters, or (2) A+catalyst→X； X+B—C+ catalyst, such a new reaction pathway?
A+ catalyst—X； Kinetic parameters such as X+B—C+ catalyst seem to be quite difficult to obtain; when I perform reaction distillation simulations, I still use A+B—C
The points mentioned in the upper floors are generally correct~~; thanks for that as well. There’s new information available recently: the reaction is defined as A+B–C+D, and it is a reversible reaction. A catalyst does not need to be defined, but reaction kinetics parameters must be specified, namely the pre-exponential factor k and the activation energy E. These parameters can be obtained by consulting relevant literature or through regression analysis based on kinetic experiments. . . . . Nevertheless, I think another approach could still work: defining the reaction as an equilibrium reaction, and defining the catalytic packing in the reaction section of the catalytic reactor. . . . . Looking forward to guidance from those who have done similar simulations~~! ! ~! ~! ~! ~