Molecular dynamics investigation into the adsorption of oil-water-surfactant mixture on quartz

作者：Zhang Xuefen; Lu Guiwu^*; Wen Xiaoming; Yang Hong

来源：Applied Surface Science, 2009, 255(13-14): 6493-6498.

DOI：10.1016/j.apsusc.2009.02.021

• Molecular dynamics
• Surfactants
• Adsorption
• Quartz

Molecular dynamics (MD) simulations have been carried out to investigate the adsorption behavior of different surfactants-water-oil mixture on quartz surfaces. The effects of rhamnolipid, sodium dodecyl benzene sulfonate and sodium hexadecyl sulfonate on binding energy and radial distribution RDF) of oil-quartz are calculated at molecular level. The study shows that these surfactants can reduce binding energy between oil molecules and quartz surface, which plays a role of oil-displacing agent.

• 出版日期2009-4-15
• 单位中国石油大学（北京）; 北京信息科技大学