Study of the precipitation trend of asphaltenes and waxes in crude oil using computational chemistry and statistical thermodynamics methods
Asphaltenes aggregation and waxes in petroleum were simulated considering five molecular structures containing functional groups: asphaltenes, resins, and non-polar hydrocarbons in a heavy oil crude. The properties of molecules were calculated using the density functional theory. The van der Waals c...
| Main Authors: | , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2024-03-01
|
| Series: | Results in Engineering |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2590123023007995 |