School of Environmental Engineering, Yellow River Conservancy Technical Institute, Kaifeng, 475003, PR China.
Key Lab of Colloid and Interface Chemistry, Shandong University, Jinan, Shandong, 250100, PR China; Shandong Chambroad Holding Co., Ltd., Binzhou, Shandong, 256500, PR China.
J Mol Graph Model. 2024 Dec;133:108880. doi: 10.1016/j.jmgm.2024.108880. Epub 2024 Oct 10.
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.
了解沥青质分子在油藏固体表面的吸附行为对于优化采油过程至关重要。本研究采用分子动力学模拟研究了带电荷和中性沥青质的油滴在二氧化硅表面的吸附行为。结果表明，含有阴离子沥青质分子的油滴更容易吸附在二氧化硅表面，并且与含有中性沥青质分子的油滴相比，更难以脱附。具体而言，阴离子沥青质分子倾向于在油水-二氧化硅界面处聚集，而中性沥青质分子主要吸附在油水界面附近。这些发现为带电荷和中性沥青质分子在二氧化硅表面的不同吸附动力学提供了有价值的见解。
