This study presents a generalized concept for modeling ester production in hetero/homogeneous catalysis by using a pervaporation membrane reactor (PVMR) that enhances the conversion by continuous removal of water byproduct. The system is rigorously described by the Maxwell-Stefan approach combined with the solution-diffusion model. The proper description of the membrane mass transport takes into account the subtle interplay between adsorption and diffusion, as well as the coupling between the diffusing species. This relatively simple yet robust modeling approach is deployed in MathWorks MATLAB, where rigorous dynamic simulations of the PVMR were performed. The esterification reaction of oleic acid with ethanol is considered as a relevant case study. The comparison between various catalytic systems-conveniently possible due to the flexible modeling approach-is supported by an appropriate sensitivity analysis study of the key design and operating parameters (e.g., permeability coefficient, membrane area-to-volume ratio, operating temperature and pressure). The simulation results were also successfully validated against reported experimental data, thus proving the effectiveness of this modeling approach.