油水界面上阴/阳离子型复配表面活性剂体系的分子动力学模拟

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刘佳霖^1,2，任瑛^1*，陈卫¹，杨晖²，何秀娟³，李应成^3*

1. 中国科学院过程工程研究所多相复杂系统国家重点实验室，北京 100190 2. 上海理工大学光电信息与计算机工程学院，上海 200093 3. 中国石化上海石油化工研究院，中国石化三采用表面活性剂重点实验室，上海 201208

收稿日期:2018-07-23修回日期:2018-11-08出版日期:2019-06-22发布日期:2019-06-20
通讯作者:刘佳霖

基金资助:国家自然科学基金项目

Molecular dynamics simulations of binary mixtures of anionic/cationic surfactants at oil-water interface

Jialin LIU^1,2, Ying REN^1*, Wei CHEN¹, Hui YANG², Xiujuan HE³, Yingcheng LI^3*

1. State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China 2. School of Optical?Electrical and Computer Engineering, University of Shanghai for Science and Technology, Shanghai 200093, China 3. Sinopec Key Lab of Surfactants for EOR, Sinopec Shanghai Research Institute of Petrochemical Technology, Shanghai 201208, China

Received:2018-07-23Revised:2018-11-08Online:2019-06-22Published:2019-06-20

摘要/Abstract

摘要： 采油过程中阴/阳离子型表面活性剂复配使用可显著增强驱油效果，对其微观机理的深入研究有助于驱油用表面活性剂的结构优化设计及使用。采用分子动力学方法研究了不同摩尔比的阴离子表面活性剂聚醚羧酸钠(PECNa)和阳离子表面活性剂十八烷基三甲基氯化铵(OTAC)复配体系在油水界面上的分子行为和物理性质。结果表明，复配体系比单种表面活性剂体系更有利于降低油水界面张力。不同复配比体系中，两种表面活性剂头基相反电荷间的吸引作用使表面活性剂之间对各自反离子的静电吸引作用减弱，且等摩尔比体系尤为明显。阴离子表面活性剂的亲水头基对阳离子表面活性剂亲水头基形成的水化层内水分子的结构取向无显著影响，反之亦然。通过调节两种离子型表面活性剂的复配比例，可调整油水界面吸附层微观结构，有望降低油水界面张力，提高采收率。

引用本文

刘佳霖任瑛陈卫杨晖何秀娟李应成. 油水界面上阴/阳离子型复配表面活性剂体系的分子动力学模拟[J]. 过程工程学报, 2019, 19(3): 533-543.
Jialin LIU Ying REN Wei CHEN Hui YANG Xiujuan HE Yingcheng LI. Molecular dynamics simulations of binary mixtures of anionic/cationic surfactants at oil-water interface[J]. Chin. J. Process Eng., 2019, 19(3): 533-543.

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