Maximise equilibrium conversion in biphasic catalysed reactions: Mathematical description and practical guideline

What is the best solvent combination for a catalytic biphasic reaction system to maximise equilibrium conversion? And which phase volume ratio and reaction stoichiometry maximises the conversion? Which product yield can be obtained using a distinct biphasic reaction mixture? These questions are essential, as optimisation can only be carried out within the thermodynamically imposed boundaries. Within this paper we introduce a mathematical expression to calculate and predict equilibrium conversion and product yield in biphasic reaction mixtures with only one reactive phase. This mathematical expression allows a time-saving design of biphasic experiments with respect to maximum conversion and product yield. The calculations were verified by experimental data obtained from a substrate-coupled alcohol dehydrogenase-catalysed reduction under different biphasic reaction conditions.