A theoretical model for phase transfer catalyzed reaction with the third‐liquid phase

Abstract

The behaviors of phase transfer catalysts under the formation of a third‐liquid phase were analyzed in the present work. A mathematical model concerning mass transfer with reaction in an organic droplet was developed. The third‐liquid phase was considered to form between the aqueous/organic interface. The diffusion resistance of active intermediate (QY) in the catalyst phase and mass transfer resistance between the droplet and the bulk aqueous phase were all considered. The surface conversion factor (?) and mass Biot number (Bi) were defined to interpret their relative importance on the overall reaction rate. The system equations were solved by finite difference and fourth‐order Runge‐Kutta methods. From the simulation results, the conversion increases with increasing Bi and decreases with increasing ?. The overall reaction rate is influenced not only by the diffusivity of organic reactant but also by its surface reaction rate. In addition, the diffusion rates of QY and QX in the third liquid phase are not important to the overall reaction rate because QY and QX are highly concentrated within the thin catalyst layer. These results exhibit the phenomena of phase transfer reaction catalyzed by the third‐liquid phase.