分子动力学模拟复杂表面活性剂对油水相互作用和界面聚合特征的影响
Xiaokang Xian1,2, Zhongbin Ye2, Lei Tang3
1School of Chemistry and Chemical Engineering, Southwest Petroleum University, Chengdu 610500, China.
Langmuir : the ACS journal of surfaces and colloids
|September 20, 2023
概括
这项研究使用了分子动力学模拟来优化重油水接口的表面活性剂混合物. 劳瑞尔聚乙烯碳酸盐 (AEC-9Na) 与基糖化物 (APG-10) 的8: 2比率增强了界面活性和稳定性.
科学领域:
- 物理化学 物理化学
- 材料科学 材料科学 材料科学
- 化学工程是化学工程的重要组成部分.
背景情况:
- 石油-水界面的复杂相互作用,特别是重油,带来了重大挑战.
- 了解界面行为对于优化涉及油水系统的流程至关重要.
研究的目的:
- 研究混合表面活性剂对油水界面相互作用和聚合物的影响.
- 为了确定 Lauryl 聚乙烯碳酸盐 (AEC-9Na) 和糖化物 (APG-10) 的最佳比率,以提高接口性能.
主要方法:
- 用分子动力学模拟来分析复杂的表面活性剂在油水界面上的行为.
- 该研究的重点是改变AEC-9Na与APG-10的比率,以观察界面膜特征的变化.
主要成果:
- 8:2的AEC-9Na:APG-10比率表明了卓越的协调,改善的界面活动和增强的稳定性.
- 与这个比率的偏差导致了表面膜厚度,表面活性剂分布和油性/水性平衡的变化.
- 较高的AEC-9Na含量 (例如10:0) 导致油膜厚度增加,这是由于表面活性剂的方向和水友性发生变化.
结论:
- AEC-9Na和APG-10之间的协同效应在8: 2的比例下得到最大化,显著改善了重油水界面稳定性.
- 表面活性剂的组成极大地影响表面膜结构,影响油和水膜厚度以及整体系统稳定性.
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