Unravelling the chemical reactions of fatty acids and triacylglycerides under hydrodeoxygenation conditions based on a comprehensive thermodynamic analysis

Diego Valencia, Isidoro García-Cruz, Víctor Hugo Uc, Luis Felipe Ramírez-Verduzco, Myriam A. Amezcua-Allieri, Jorge Aburto

Research output: Contribution to journalArticle

6 Scopus citations


© 2018 Elsevier Ltd Triacylglycerides (TAGs) and their related fatty acids (FAs) are abundant in biomass (vegetal oils and animal fats). Here, we studied by theoretical calculations the most representative FAs and their chemical reactions under hydrogen atmosphere to produce O-free hydrocarbon molecules. In general, the ΔHr0 and ΔGr0 do not vary due to the size of the molecule. Selected TAGs were also studied by theoretical calculations. Similar as FAs, the overall reaction energies do not depend on the size of the molecules. Possible reaction networks for the hydrogenation and hydrogenolysis processes are proposed for such biomolecules under hydrogen environments. We also studied the profiles of the enthalpy and Gibbs energy of reaction for TAGs at typical operating conditions of temperature or pressure. This self-consistent study is willing to contribute for a better understanding of the reactions of the biomass that take place under hydrogen atmosphere.
Original languageAmerican English
Pages (from-to)37-44
Number of pages32
JournalBiomass and Bioenergy
StatePublished - 1 May 2018
Externally publishedYes


Cite this