Unraveling the Interaction of Water-in-Oil Emulsion Droplets via Molecular Simulations and Surface Force Measurements

Sun Xiaoyu; Yang Diling; Zhang Hao; Zeng Hongbo; Tang Tian

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Unraveling the Interaction of Water-in-Oil Emulsion Droplets via Molecular Simulations and Surface Force Measurements

机译：通过分子模拟和表面力测量揭示水乳液液滴的相互作用

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Water-in-oil emulsions widely exist in various chemical and petroleum engineering processes, and their stabilization and destabilization behaviors have attracted much attention. In this work, molecular dynamic (MD) simulations were conducted on the water-in-oil emulsion droplets with the presence of surface-active components, including a polycyclic aromatic compound (VO-79) and two nonionic surfactants: the PEO5PPO10PEO5 triblock copolymer and Brij-93. At the surface of water droplets, films were formed by the adsorbate molecules that redistributed during the approaching of the droplets. The redistribution of PEO5PPO10PEO5 was more pronounced than that of Brij-93 and VO-79, which contributed to lower repulsion during coalescence. The interaction forces during droplet coalescence were also measured using atomic force microscopy. Jump-in phenomenon and coalescence were observed for systems with VO-79, Brij-93, and a low concentration of Pluronic P123. The critical force before jump-in was lowest for the low concentration of Pluronic P123, consistent with the MD results. Adhesion was measured when separating water droplets with a high concentration of Pluronic P123. By correlating theoretical simulations and experimental force measurements, this work improves the fundamental understanding on the interaction behaviors of water droplets in an oil medium in the presence of interface-active species and provides atomic-level insights into the stabilization and destabilization mechanisms of water-in-oil emulsion.

机译：油包水乳液广泛存在于各种化工和石油工程过程中，其稳定和失稳行为引起了人们的广泛关注。在这项工作中，分子动力学（MD）模拟了存在表面活性组分的油包水乳液液滴，包括一种多环芳烃化合物（VO-79）和两种非离子表面活性剂：PEO5PP10PEO5三嵌段共聚物和Brij-93。在水滴表面，吸附质分子在水滴接近时重新分布，形成薄膜。PEO5PP10PEO5的再分配比Brij-93和VO-79更明显，这有助于降低聚结过程中的排斥力。还使用原子力显微镜测量了液滴聚并过程中的相互作用力。对于含有VO-79、Brij-93和低浓度Pluronic P123的系统，观察到跳跃现象和聚结。对于低浓度的Pluronic P123，跳入前的临界力最低，与MD结果一致。当使用高浓度的Pluronic P123分离水滴时，测量粘附力。通过将理论模拟和实验测力相关联，这项工作提高了对油介质中存在界面活性物种时水滴相互作用行为的基本理解，并为油包水乳液的稳定和失稳机制提供了原子水平的见解。

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《The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical》 |2021年第27期|共12页
作者
Sun Xiaoyu; Yang Diling; Zhang Hao; Zeng Hongbo; Tang Tian;
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作者单位

Univ Alberta Dept Chem &

Mat Engn Edmonton AB T6G 1H9 Canada;

Univ Alberta Dept Chem &

Mat Engn Edmonton AB T6G 1H9 Canada;

Univ Alberta Dept Chem &

Mat Engn Edmonton AB T6G 1H9 Canada;

Univ Alberta Dept Chem &

Mat Engn Edmonton AB T6G 1H9 Canada;

Univ Alberta Dept Mech Engn Edmonton AB T6G 1H9 Canada;

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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
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机译：油包水乳液的研究：稳定性类别和测量

Unraveling the Interaction of Water-in-Oil Emulsion Droplets via Molecular Simulations and Surface Force Measurements

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