Computational study of macroscopic properties of macromolecules with industrial interest

Kepa K. Burusco, Carlos Jaime, Felicidad Franch-Lage, Lluís Beltran, Francesc Granero

Research output: Contribution to journalArticleResearchpeer-review

1 Citation (Scopus)


There is an increasing demand on the market for environmentally compatible lubricants. Refined vegetable oils have been used as biolubricants, but synthetic esters from renewable resources could also be considered as biolubricants, and can be prepared by combining different alcohols with linear or branched fatty acids. A tool has been developed to predict the properties of esters based on the chemical structure. A multilinear approach was used to correlate the experimental viscosity with theoretical parameters (diffusion coefficient, dipole moment and solvation energy) calculated from the expected chemical structure with a high degree of correlation. © 2009 AOCS.
Original languageEnglish
Pages (from-to)271-279
JournalJAOCS, Journal of the American Oil Chemists' Society
Issue number3
Publication statusPublished - 1 Mar 2010


  • Biolubricants
  • Fatty acid esters Viscosity prediction


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