Abstract
Design of highly efficient multifunctional reaction processes for energy production is one of the main focus areas of Chemical Engineering. This article presents multiscale simulation frameworks for heterogeneously catalyzed reactors wherein numerous synthesis steps are integrated for high efficiency biodiesel production. The goal is the modeling of transport-adsorption-reaction-desorption phenomena through catalytic porous networks for efficient diffusion, reactions of desired pathways and elimination of side reactions and waste formation. Building upon exciting ongoing EPSRC funded research activities on 'Designer catalyst for high efficiency biodiesel production', this work proposes a simulation method to refine micro-meso porous kinetic and diffusive parameters to converge with the experimental results and for biodiesel synthesis in continuous oscillatory baffle reactor (OBR) from non-edible oils. © 2012 Elsevier B.V.