Kinetic modeling studies of heterogeneously catalyzed biodiesel synthesis reactions

Kapil, Ankur, Wilson, Karen, Lee, Adam F. and Sadhukhan, Jhuma (2011). Kinetic modeling studies of heterogeneously catalyzed biodiesel synthesis reactions. Industrial and Engineering Chemistry Research, 50 (9), pp. 4818-4830.


The heterogeneously catalyzed transesterification reaction for the production of biodiesel from triglycerides was investigated for reaction mechanism and kinetic constants. Three elementary reaction mechanisms Eley-Rideal (ER), Langmuir-Hinshelwood-Hougen-Watson (LHHW), and Hattori with assumptions, such as quasi-steady-state conditions for the surface species and methanol adsorption, and surface reactions as the rate-determining steps were applied to predict the catalyst surface coverage and the bulk concentration using a multiscale simulation framework. The rate expression based on methanol adsorption as the rate limiting in LHHW elementary mechanism has been found to be statistically the most reliable representation of the experimental data using hydrotalcite catalyst with different formulations.

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Divisions: Engineering & Applied Sciences > Chemical engineering & applied chemistry
Engineering & Applied Sciences > European Bioenergy Research Institute (EBRI)
Additional Information: This document is the Accepted Manuscript version of a Published Work that appeared in final form in I&EC Research, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see
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Related URLs: http://www.scop ... tnerID=8YFLogxK (Scopus URL)
http://pubs.acs ... .1021/ie101403f (Publisher URL)
Published Date: 2011-05-04
Authors: Kapil, Ankur
Wilson, Karen ( 0000-0003-4873-708X)
Lee, Adam F. ( 0000-0002-2153-1391)
Sadhukhan, Jhuma



Version: Accepted Version

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