Adsorption dynamics of heavy oil droplets on silica: Effect of asphaltene anionic carboxylic

• Published in: Journal of molecular graphics & modelling 2024-12, Vol.133, p.108880, Article 108880
• Main Authors: Cui, Peng, Zhang, Heng, Yuan, Shiling
• Format: Article
• Language: English
• Subjects: Adsorption; Anions - chemistry; Asphaltene; Carboxylic Acids - chemistry; Heavy oil droplets; Molecular dynamics; Molecular Dynamics Simulation; Oils - chemistry; Polycyclic Aromatic Hydrocarbons; Silica; Silicon Dioxide - chemistry; Surface Properties; Water - chemistry
• ISSN: 1093-3263; 1873-4243; 1873-4243
• DOI: 10.1016/j.jmgm.2024.108880

Understanding the adsorption behavior of asphaltene molecules on the surfaces of oil reservoir solids is essential for optimizing oil recovery processes. This study employed molecular dynamics simulations to investigate the adsorption behavior of oil droplets composed of charged and neutral asphaltenes on silica surfaces. The results revealed that oil droplet containing anionic asphaltene molecules were more likely to adsorb onto silica surfaces and exhibited greater resistance to detachment compared to oil droplet containing neutral asphaltene molecules. Specifically, anionic asphaltene molecules tended to accumulate at the oil-water-silica interface, whereas neutral asphaltene molecules primarily adsorbed near the oil-water interface. These findings provide valuable insights into the differing adsorption dynamics of charged and neutral asphaltene molecules on silica surfaces. [Display omitted] •Molecular dynamics simulations studied the adsorption of asphaltene oil droplets on silica surfaces.•Anionic asphaltene oil droplets adsorb onto silica surfaces more readily than neutral ones.•Asphaltene adsorption on silica surfaces was classified into flat and tilted configurations.•Charged asphaltene droplets were more resistant to detachment from silica surfaces than neutral ones.