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Computational Study of Macroscopic Properties of Macromolecules with Industrial Interest
Author(s) -
Burusco Kepa K.,
Jaime Carlos,
FranchLage Felicidad,
Beltran Lluís,
Granero Francesc
Publication year - 2010
Publication title -
journal of the american oil chemists' society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.512
H-Index - 117
eISSN - 1558-9331
pISSN - 0003-021X
DOI - 10.1007/s11746-009-1493-1
Subject(s) - solvation , materials science , multilinear map , diffusion , polybutadiene , viscosity , macromolecule , thermodynamics , organic chemistry , chemistry , molecule , polymer , mathematics , composite material , biochemistry , physics , pure mathematics , copolymer
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.