Molecular Dynamics Simulation of Asphaltene Deposition During CO2 Miscible Flooding

We use molecular dynamics (MD) to calculate the interaction of aggregates with different solvents at 370 K to simulate the course of CO2 injection and present a review of what prerequisites can influence the asphaltene deposition. The solvents are pure CO2; a mixture of methane and ethane; a mixture of methane, ethane, and octane; and a mixture of octane and CO2. The results show that pure CO2 would enhance the hydrogen bond and the dipolar interaction in asphaltene aggregates. The - charge-transfer interaction will be greatly enhanced after CO2 injection at 370 K. This indicates that the more aromatic clusters and heteroatoms the asphaltenes have, the greater the deposition of asphaltene will be after CO2 injection.