Non-isothermal lipase-catalyzed kinetic resolution in a packed bed reactor: Modeling, simulation and miniplant studies

A rigorous model is developed for the exothermic kinetic resolution of 1-methoxy-2-propanol with vinyl acetate catalyzed by immobilized Candida antarctica lipase B in a packed bed reactor. The non-isothermal two-dimensional heterogeneous model takes into account the coupled mass and energy balances, the uneven flow distribution and irreversible ping-pong bi–bi kinetics with competitive substrate inhibition by both enantiomers. This model is based on kinetic parameters, which were estimated in earlier work. The model simulation is validated with experimental results obtained in a fully automated modular miniplant and is shown to be capable of predicting the key parameters needed for process design of a kinetic resolution, the enantiomeric excess and the extent of conversion at a given superficial velocity.