Evaluation of Asphaltene Hildebrand and Hansen Solubility Parameters Using Digital Oil Models with Molecular Dynamics Simulation
Yunshi Huang,
Yunfeng Liang,
Yoshihiro Masuda
et al.
Abstract:The
solubility parameter characterizes solubility in terms of simple
numbers representing cohesive energy contribution within the molecular
system and thus is considered a powerful approach for understanding
highly complex systems such as asphaltenes. To obtain solubility parameters,
compared with the traditional experimental method, molecular dynamics
(MD) simulation provides an efficient approach and gives an explanation
at the molecular level. In this study, we calculated the solubility
parameters of asphal… Show more
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