4.7 Article

Biofuels energetics: Reconciliation of calorific values of fatty acids methyl esters with help of complementary measurements and structure-property relationships

期刊

FUEL
卷 329, 期 -, 页码 -

出版社

ELSEVIER SCI LTD
DOI: 10.1016/j.fuel.2022.125460

关键词

Biodiesel; Fatty acids methyl esters; Calorimetry; Thermogravimetry; Heat capacity; Enthalpy of vaporisation; Enthalpy of formation; group-additivity

资金

  1. EU
  2. Russian Science Foundation
  3. [VE 265-9/2]
  4. [21-79-10140]

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The study investigated the thermodynamic properties of fatty acid methyl esters as a renewable alternative fuel biodiesel, validated through experimental measurements and quantum chemical calculations, and developed group additivity contributions to predict the thermodynamic properties of esters.
The fatty acids methyl esters with the saturated and unsaturated alkyl chains are known as a renewable alternative fuel - biodiesel. Calorific values were measured using high-precision combustion calorimetry. Heat capacities were measured using differential scanning calorimetry. Vaporisation enthalpies were measured using thermogravimetric analysis. The thermodynamic properties of fatty acid methyl esters available in the literature were collected, combined with our own new results and validated using structure-property relationships and quantum chemical calculations. The sets of evaluated thermodynamic properties have been recommended for chemical-engineering calculations. The group additivity contributions to the prediction of vaporisation and formation enthalpies of esters relevant to biodiesel production were developed and tested.

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