Kinetic and Thermodynamic Modeling of Esterification of 2- Propanol and N- Butyric Acid

Abstract

Experiments are conducted to obtain kinetic data of esterification of 2- propanol and n-butyric acid in a stirred and temperature controlled batch reaction vessel.  Sulphuric acid is chosen as catalyst in the present study.  The effect of different variables on butyric acid conversion is studied in the present work.  Molar ratio of reactants (acid to alcohol) is varied from 0.5 to 1.5.  Catalyst concentration is changed from 1.0 to 3.0 weight percent.  The reaction temperatures chosen are 50^oC, 60^oC and 70^oC.  The reaction products are analyzed using TLC, FTIR and NMR techniques in order to know the occurrence of any side reactions.  The reaction obeyed second order, and the rate constants are evaluated using integral method of analysis.  Correlation equations in terms of operating parameters for the rate constants are obtained by employing least squares regression analysis.  The kinetic data are compared with the five thermodynamic models, viz., UNIQUAC, UNIFAC, WILSON, modified UNIFAC and NRTL.  The corresponding activity coefficients are estimated using ASPEN Plus software.