在电场下的盐水滴的分子动力学模拟:NaCl和CaCl2显示的独特行为
Wenhui Li1, Hongbo Zeng1, Tian Tang2
1Department of Chemical and Materials Engineering, University of Alberta, Edmonton, AB T6G 1H9, Canada.
The journal of physical chemistry. B
|July 7, 2023
概括
盐类型和度显著影响油水乳液的静电解. 高度的盐通过创造反场来稳定盐水滴,而低度则根据离子类型表现出不同的行为.
科学领域:
- 石油工程是石油工程中的一个.
- 合体和表面科学科学
- 计算化学的计算化学
背景情况:
- 静电解是破碎石油乳液的关键.
- 乳液中盐的存在使电场的有效性复杂化.
- 了解盐离子对盐水滴稳定性的影响至关重要.
研究的目的:
- 研究盐离子类型和度对电场下的盐水滴稳定性的影响.
- 分析不同盐水成分的油中的水乳液的分子动力学.
- 确定电场强度对乳液脱乳化的影响.
主要方法:
- 水在油系统的分子动力学 (MD) 模拟.
- 含有多烯,青素 (C5Pe) 和盐水 (NaCl或CaCl2) 的乳液.
- 应用的电场范围从0到1V/nm,盐度不同 (011重 %).
主要成果:
- 裸露的水滴随着电场的增加而显著变形.
- 高电场通过离子喷射稳定盐水滴 (≥0.75 V/nm) 在高盐度 (≥7.8 wt %) 时.
- 低度盐 (≤4.5%重量%) 显示出不同的行为:NaCl滴迁移,CaCl2滴保持分散.
结论:
- 盐离子在静电解中起着至关重要的作用.
- 在高电场上的滴滴稳定是由于离子弹射产生的反电场.
- 在低盐度下,滴滴的差异迁移取决于净电荷和青烯吸附.
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