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Thermochemistry of methyl and ethyl esters from vegetable oils
Author(s) -
Osmont Antoine,
Catoire Laurent,
Gökalp Iskender
Publication year - 2007
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.20264
Subject(s) - chemistry , thermochemistry , organic chemistry , standard enthalpy of formation , fatty acid methyl ester , biodiesel , ethyl ester , combustion , methyl oleate , thermodynamics , catalysis , physics
Abstract This paper deals with the gas‐phase thermodynamic properties of methyl ester and ethyl ester of vegetable oils (fatty acid methyl esters and fatty acid ethyl esters respectively) present in biodiesel. The standard enthalpies of formation at 298.15 K, heat capacities, and entropies in the temperature range 300–5000 K are determined by means of quantum chemistry calculations along with a protocol developed for these compounds. The resultant data, currently not available in the literature for most of them, are critical to the modeling of combustion chemistry of the subject compounds. © 2007 Wiley Periodicals, Inc. Int J Chem Kinet 39: 481–491, 2007