Computer Simulation of Asphaltenes
- Autores: Lyulin S.V.1, Glova A.D.1, Falkovich S.G.1, Ivanov V.A.2, Nazarychev V.M.1, Lyulin A.V.1, Larin S.V.1, Antonov S.V.3, Ganan P.4, Kenny J.M.1
-
Afiliações:
- Institute of Macromolecular Compounds, Russian Academy of Sciences
- Lomonosov Moscow State University
- Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences
- Universidad Pontificia Bolivariana
- Edição: Volume 58, Nº 12 (2018)
- Páginas: 983-1004
- Seção: Article
- URL: https://ogarev-online.ru/0965-5441/article/view/180494
- DOI: https://doi.org/10.1134/S0965544118120149
- ID: 180494
Citar
Resumo
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.
Palavras-chave
Sobre autores
S. Lyulin
Institute of Macromolecular Compounds, Russian Academy of Sciences
Autor responsável pela correspondência
Email: s.v.lyulin@gmail.com
Rússia, St. Petersburg
A. Glova
Institute of Macromolecular Compounds, Russian Academy of Sciences
Email: s.v.lyulin@gmail.com
Rússia, St. Petersburg
S. Falkovich
Institute of Macromolecular Compounds, Russian Academy of Sciences
Email: s.v.lyulin@gmail.com
Rússia, St. Petersburg
V. Ivanov
Lomonosov Moscow State University
Email: s.v.lyulin@gmail.com
Rússia, Moscow
V. Nazarychev
Institute of Macromolecular Compounds, Russian Academy of Sciences
Email: s.v.lyulin@gmail.com
Rússia, St. Petersburg
A. Lyulin
Institute of Macromolecular Compounds, Russian Academy of Sciences
Email: s.v.lyulin@gmail.com
Rússia, St. Petersburg
S. Larin
Institute of Macromolecular Compounds, Russian Academy of Sciences
Email: s.v.lyulin@gmail.com
Rússia, St. Petersburg
S. Antonov
Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences
Email: s.v.lyulin@gmail.com
Rússia, Moscow
P. Ganan
Universidad Pontificia Bolivariana
Email: s.v.lyulin@gmail.com
Colômbia, Medellín
J. Kenny
Institute of Macromolecular Compounds, Russian Academy of Sciences
Email: s.v.lyulin@gmail.com
Rússia, St. Petersburg
Arquivos suplementares
