Catalogue of Plausible Molecular Models for the Molecular Dynamics of Asphaltenes and Resins Obtained from Quantitative Molecular Representation
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DOI: 10.1021/acs.energyfuels.9b02605
Abstract: Computer simulation studies aimed at elucidating the phase behavior of crude oils inevitably require atomistically detailed models of representative molecules. For the lighter fractions of crudes, such molecules are readily available, as the chemical composition… read more here.
Keywords: molecular dynamics; molecular representation; plausible molecular; catalogue plausible ... See more keywords