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Journal of Emerging Trends in Engineering and Applied Sciences (JETEAS)


Article Title: Mechanistic Modeling of Clay-Catalysed Liquid-Phase Esterification of Acetic Acid
by Olebunne, F. L; Igbokwe, P. K, Onyelucheya O. E; Osoka, E. C; Ekeke, I. C

The liquid-phase esterification of acetic acid with ethanol catalysed by acid-activated montmorillonite clay from Udi in Nigeria was studied using four experimental plans with varying temperature, catalyst weight and reactant mole ratio. The reaction was run for six hours and the reaction rates obtained by differential method of analysis. Mechanistic modeling of the reaction was performed using five models: Pseudo-homogeneous, Eley-Rideal (E-R), Langmuir-Hinshlewood-Hougen-Watson (LHHW), Acid-complex and Alcohol-complex models. The Graphical User Interface (GUI) of the non-linear regression tool of MATLAB software was used in modeling the experimental data. From the graphical presentations and the Root Mean Square Errors (RMSE) of the models, the Alcohol-complex model gave the best fit. There were indications that the reaction also proceeded with the Acid-complex mechanism as a parallel reaction. Elucidating the mechanism of the clay-catalysed reaction is essential in the design of the appropriate reactor for the reaction. The use of clay catalysts for industrial reactions is recommended because it is one of the major green chemistry approaches to pollution-free environment.
Keywords: Clay catalysts, acid activation, esterification, green chemistry, mechanistic modeling.
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ISSN: 2141-7016

Editor in Chief.

Prof. Gui Yun Tian
Professor of Sensor Technologies
School of Electrical, Electronic and Computer Engineering
University of Newcastle
United Kingdom



Copyright © Journal of Emerging Trends in Engineering and Applied Sciences 2010