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 original | Inglés |
---|---|
Páginas (desde-hasta) | 983-1004 |
Número de páginas | 22 |
Publicación | Petroleum Chemistry |
Volumen | 58 |
N.º | 12 |
DOI | |
Estado | Publicada - 12 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