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Issue 18, 2013

Multiscale modelling of heterogeneously catalysed transesterification reaction process: an overview

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Abstract

Biodiesel is fast becoming one of the key transport fuels as the world endeavours to reduce its carbon footprint and find viable alternatives to oil derived fuels. Research in the field is currently focusing on more efficient ways to produce biodiesel, with the most promising avenue of research looking into the use of heterogeneous catalysis. This article presents a framework for kinetic reaction and diffusive transport modelling of the heterogeneously catalysed transesterification of triglycerides into fatty acid methyl esters (FAMEs), unveiled by a model system of tributyrin transesterification in the presence of MgO catalysts. In particular, the paper makes recommendations on multicomponent diffusion calculations such as the diffusion coefficients and molar fluxes from infinite dilution diffusion coefficients using the Wilke and Chang correlation, intrinsic reaction kinetic studies using the Eley–Rideal kinetic mechanism with methanol adsorption as the rate determining steps and multiscale reaction-diffusion process simulation between catalytic porous and bulk reactor scales.

Graphical abstract: Multiscale modelling of heterogeneously catalysed transesterification reaction process: an overview

Supplementary files

Article information


Submitted
04 Oct 2012
Accepted
20 Dec 2012
First published
21 Dec 2012

RSC Adv., 2013,3, 6226-6240
Article type
Review Article

Multiscale modelling of heterogeneously catalysed transesterification reaction process: an overview

T. J. Davison, C. Okoli, K. Wilson, A. F. Lee, A. Harvey, J. Woodford and J. Sadhukhan, RSC Adv., 2013, 3, 6226 DOI: 10.1039/C2RA23371A

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