Petroleum Science >2009,??Issue 1:??76-81 DOI: https://doi.org/10.1007/s12182-009-0014-z
Molecular dynamics simulation of adsorption of an oil-water-surfactant mixture on calcite surface Open?Access
文章信息
作者：Guiwu Lu, Xuefen Zhang, Changjin Shao & Hong Yang
作者单位：
投稿时间：04 February 2009
引用方式：Lu, G., Zhang, X., Shao, C. et al. Molecular dynamics simulation of adsorption of an oil-water-surfactant mixture on calcite surface. Pet. Sci. 6, 76–81 (2009). https://doi.org/10.1007/s12182-009-0014-z
文章摘要
An interface super molecular structure model for oil-water-surfactant mixture and calcite was established. By using a molecular dynamics method, the effects of rhamnolipid, sodium dodecyl benzene sulfonate and sodium hexadecyl sulfonate on the interface adsorption behavior of oil molecules were investigated. It was found that these three surfactants could reduce oil-calcite interface binding energy, and play a role of oil-displacing agent.
关键词
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Oil; calcite; adsorption; molecular dynamics