Publication Type Journal Article
Title Preaggregation of Asphaltenes in the Presence of Natural Polymers by Molecular Dynamics Simulation
Authors Lucas Grillo Celia-Silva Patricia B. Vilela Pedro Morgado Elizabete F. Lucas Luis F. G. Martins Eduardo J. M. Filipe
Groups MET
Journal ENERGY \& FUELS
Year 2020
Month February
Volume 34
Number 2
Pages 1581-1591
Abstract Cashew nut shell liquid (CNSL), its extract, cardanol, and polycardanol, are known to influence the dispersion behavior of asphaltenes in model solvent mixtures. CNSL and cardanol act as dispersants, while polycardanol can act as both dispersant or flocculant depending on its molecular architecture, concentration, and asphaltene source. In this work, the preaggregation of asphaltenes in model solvents (toluene, n-heptane, and their mixtures) has been studied by atomistic molecular dynamics simulation. The influence of cardanol, addition polycardanol, and condensation polycardanol as additives has been addressed. The simulation results remarkably reproduce the experimental trends, thus contributing to a better understanding of the molecular processes underlying the stabilization or precipitation of asphaltenes by cardanols and their polymers.
DOI http://dx.doi.org/10.1021/acs.energyfuels.9b03703
ISBN
Publisher
Book Title
ISSN 0887-0624
EISSN 1520-5029
Conference Name
Bibtex ID ISI:000518215400048
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