Computer Simulation of Asphaltenes

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

Producción científica: Contribución a una revistaArtículo en revista científica indexadarevisión exhaustiva

17 Citas (Scopus)

Resumen

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.
Idioma originalInglés
Páginas (desde-hasta)983-1004
Número de páginas22
PublicaciónPetroleum Chemistry
Volumen58
N.º12
DOI
EstadoPublicada - 1 dic. 2018

Nota bibliográfica

Publisher Copyright:
© 2018, Pleiades Publishing, Ltd.

Palabras clave

  • Asphaltenes
  • Computer simulation
  • Quantum chemical calculations

Tipos de Productos Minciencias

  • Artículos de investigación con calidad Q3

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