无离子-无离子表面活性剂对油水界面界面特性影响的分子动力学模拟
Zhaojun Chen1,2,3, Yangwen Zhu1,2,4, Jinpan Zhong1,2,4
1State Key Laboratory of Shale Oil and Gas Enrichment Mechanisms and Effective Development, Beijing 102206, China.
ACS omega
|March 31, 2025
概括
分子动力学模拟揭示了胺基 (6501) 和脂肪酒精聚氧乙烯硫酸 (AES) 表面活性剂如何通过改变油水界面特性和削弱油层力量来改善增强的石油回收.
科学领域:
- 石油工程是石油工程中的一个.
- 合体和表面化学
背景情况:
- 表面活性油驱动是一种关键的增强石油回收 (EOR) 技术.
- 油水界面上的表面活性剂聚合对于油排斥至关重要.
研究的目的:
- 为了研究单一和二进制诺胺 (6501) 和脂肪酒精聚氧乙烯乙烯硫酸盐 (AES) 表面活性剂的排斥性行为.
- 阐明管理增强石油回收的分子层次机制.
主要方法:
- 分子动力学模拟.分子动力学模拟.
- 使用密度分布,界面厚度,辐射分布函数,界面张力和界面生成能量的油水界面的表征.
主要成果:
- 多德胺 (126501) 和AES表面活性剂有效地降低了表面张力.
- 二进制的126501/AES系统显示了接口膜厚度 (18.08 Å) 和扩散系数 (0.186 Å2/秒) 的增加.
- 油分子位于AES离子头4.2 Å的位置,削弱了油层内的分子间力量,对126501/AES.有96.12 kJ/mol的稳定界面能量.
结论:
- 126501/AES和146501/AES系统对金属离子具有强大的抗性.
- 了解这些分子相互作用为设计有效的表面活性剂系统提供了指导,以加强石油回收.
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