盐离子对阴-非离子型表面活性剂在气液界面聚集行为影响的分子动力学模拟毕业设计毕业论文.doc

本 科 毕 业 设 计（论文） 题 目：盐离子对阴-非离子型表面活性剂在气液界面聚集行为影响的分子动力学模拟 学生姓名： 学 号： 专业班级：材料物理 指导教师： 中国石油大学（华东）本科毕业设计（论文） 摘 要 随着我国各大油田进入高含水期，水驱稳产难度越来越大。因此开发经济有效的三次采油技术，提高原油采收率成为目前我国各大油田亟待解决的问题。化学驱是我国应用最普遍的三次采油技术。众多化学驱油剂中，表面活性剂能降低油水界面张力、改变岩石润湿性、可较大幅度提高原油采收率。但是针对适用于高温、高矿化度条件下的阴-非离子型表面活性剂的研究相对较少。本文采用分子动力学模拟的方法研究了盐离子(Na+、Ca2+、Mg2+)对十二烷基聚氧乙烯醚磺酸钠(A12ESO2)在气/液界面聚集行为的影响。研究表明：无机盐离子的加入压缩了A12ESO2体系中的界面水层、使头基周围水化层结构更加有序、头基周围水分子和Na+的扩散行为受到限制等；离子浓度是影响A12ESO2体系界面水层和头基周围水化层的重要因素；不同盐离子对头基周围水分子和Na+扩散行为的影响程度，以及界面双电层受压缩的影响程度由强到弱的顺序均为：Mg2+ Ca2+ Na+。 关键词：十二烷基聚氧乙烯醚磺酸钠；表面活性剂；盐离子；分子动力学 ABSTRACT As Chinese major oilfields enter high water cut period, maintaining oil production rate for water flooding reservoirs is more and more difficult. So developing cost-effective Enhanced Oil Recovery (EOR) and increasing oil recovery become a serious problem urgently. In our country, chemical flooding is one of the most general Enhanced Oil Recovery technology. Besides, the surfactants can reduce the interfacial tension and change the rock’s wetting, which are one of the high performance and widely used chemical oil displacement agents. But the studies of non-ionic surfactants which are used under high temperature and high salinity conditions are relatively few. In this paper, we investigate the effects of ions on the monolayer of A12ESO2 surfactant adsorbed at the vapor/liquid interface by molecular dynamics study. The results show that ions can compress interfacial water layer, make the hydration shell of the surfactants more orderly, and limit the diffusion of water and Na+ around the head; The concentration of ions is an important factor affecting interfacial water layer and the hydration shell of the surfactants; The influence degree of different ions on the diffusion of water and Na+ around the head is Mg2+ Ca2+ Na+, and the outcome of the influence degree of electric double layer is the same. Keywords: A12ESO2; surfactant; ions; molecular dynamics 目 录 TOC \o 1