Effect of the heteroatom presence in different positions of the model asphaltene structure on the self-aggregation: MD and DFT study
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DOI: 10.1016/j.molliq.2021.116109
Abstract: Abstract In this study, a series of heteroatoms including nitrogen, oxygen, and sulfur were added to different positions of the model asphaltene structure to study the effect of the heteroatom presence in the self-aggregation of… read more here.
Keywords: model asphaltene; presence; self aggregation; asphaltene structure ... See more keywords