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Kinetics, mass transfer, and thermodynamic and statistical modeling study for esterification of valeric acid with n ‐butanol: Homogeneous and heterogeneous catalysis
Author(s) -
Khudsange Chandrakant R.,
Wasewar Kailas L.
Publication year - 2018
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.21195
Subject(s) - chemistry , catalysis , valeric acid , amberlite , unifac , homogeneous , molar ratio , heterogeneous catalysis , mass transfer , thermodynamics , organic chemistry , activity coefficient , chromatography , adsorption , aqueous solution , acetic acid , physics
The esterification of valeric acid with n ‐butanol was studied with homogeneous and heterogeneous catalysts. The activity and performance of homogeneous p ‐toluenesulfonic acid and heterogeneous cation exchange resin catalysts Amberlyst 36, Indion 190, and Amberlite IRC‐50 were evaluated. The pseudo‐homogeneous kinetic model was used to investigate the kinetic parameters of homogeneous‐ and heterogeneous‐catalyzed esterification. The UNIFAC (universal functional activity coefficient) approach was used to study the nonideality of the esterification reaction. The reaction was statistically modeled and optimized by the application of response surface methodology. The effects of independent variables such as reaction temperature, initial molar ratio, and catalyst loading on the conversion of valeric acid were investigated. The optimized conditions for the esterification reaction catalyzed by Amberlyst‐36 were found as temperature 360.4 K, initial molar ratio 3.8, and catalyst loading 6.7 wt%. The predicted conversion (89%) at these optimized conditions is in good agreement with the experimental conversion (87.3 ± 1.6%).