Computer Simulation of Asphaltenes View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2018-12

AUTHORS

S. V. Lyulin, A. D. Glova, S. G. Falkovich, V. A. Ivanov, V. M. Nazarychev, A. V. Lyulin, S. V. Larin, S. V. Antonov, P. Ganan, J. M. Kenny

ABSTRACT

The review describes theoretical approaches based on computer simulations at various levels of details (from quantum chemical calculations to atomistic and coarse-grained models) to study asphaltenes and systems containing asphaltenes. The used methods are described, their advantages and disadvantages are discussed in terms of computational costs and time- and spatial-scales available for simulations. The results of studies of the asphaltenes interactions with each other and their aggregation behavior in low-molecular solvents are presented. The most promising approaches of computer simulations of asphaltenes-based systems are determined. More... »

PAGES

983-1004

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/s0965544118120149

DOI

http://dx.doi.org/10.1134/s0965544118120149

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1110564762


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