Numerical simulation of influence of mass transfer on phase transfer catalytic reaction

Abstract

AbstractMass transfer with chemical reaction by liquid/liquid phase tranfer catalysis (LLPTC) for an isothermal batch reactor was analyzed. The results for the phase transfer catalyzed reaction system can be generally described by a pseudo first‐order hypothesis, whereas the reaction system can be controlled by simultaneous mass transfer of the catalysts between two liquid phases and chemical reaction in the organic phase. The mass transfer limitation is mainly from the mass transfer step of QX from the organic phase to the aqueous phase. The concept of catalyst‐effectiveness vs. physically meaningful parameters in a liquid/liquid phase transfer catalyzed reaction is introduced. The catalyst effectiveness is increased as the mass transfer factors increase, the ratio of reaction rate coefficients of aqueous forward reaction to organic increases, and the equilibrium constant in the aqueous solution increases.