Kinetic modeling studies of heterogeneously catalyzed biodiesel synthesis reactions

Abstract

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.

Publication DOI: https://doi.org/10.1021/ie101403f
Divisions: College of Engineering & Physical Sciences > Chemical Engineering & Applied Chemistry
College of Engineering & Physical Sciences > Energy and Bioproducts 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 https://pubs.acs.org/doi/abs/10.1021/ie101403f
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Related URLs: http://www.scop ... tnerID=8YFLogxK (Scopus URL)
http://pubs.acs ... .1021/ie101403f (Publisher URL)
PURE Output Type: Article
Published Date: 2011-05-04
Published Online Date: 2011-01-07
Authors: Kapil, Ankur
Wilson, Karen (ORCID Profile 0000-0003-4873-708X)
Lee, Adam F. (ORCID Profile 0000-0002-2153-1391)
Sadhukhan, Jhuma

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