2007
DOI: 10.1002/kin.20264
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Thermochemistry of methyl and ethyl esters from vegetable oils

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 cr… Show more

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Cited by 59 publications
(29 citation statements)
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“…Using data provided in [52], the following approximation for the vapour heat capacities of the components of biodiesel fuels in the range of temperatures 300 ≤ T ≤ 1200 K is derived:…”
Section: Vapour Heat Capacitymentioning
confidence: 99%
“…Using data provided in [52], the following approximation for the vapour heat capacities of the components of biodiesel fuels in the range of temperatures 300 ≤ T ≤ 1200 K is derived:…”
Section: Vapour Heat Capacitymentioning
confidence: 99%
“…In contrast, the specific heat, enthalpy and entropy polynomials of temperature of the four methyl esters, required as inputs to the program, were fitted from the data reported in Osmont et al, (2007), which were derived from quantum chemistry theory using the anharmonic oscillator approximation.…”
Section: Thermodynamic Equilibrium Calculationsmentioning
confidence: 99%
“…They were performed for atmospheric pressure at the mid-reactor temperature measured in the experiments. The polynomials of temperature of the specific heat, enthalpy and entropy of the fatty acids, required as programme inputs, were fitted from the data reported in Osmont et al (2007). The latter were derived from quantum chemistry theory using the anharmonic oscillator approximation.…”
Section: Thermodynamic Equilibrium Calculationsmentioning
confidence: 99%