耗散颗粒动力学模拟
肺表面活性物质
分子动力学
中尺度气象学
油滴
材料科学
粒子(生态学)
胶体
工作(物理)
化学工程
化学
纳米技术
化学物理
热力学
乳状液
物理
聚合物
复合材料
地质学
工程类
海洋学
计算化学
气象学
作者
Mohammad Ali Ahmadi,Ehsan Aliabadian,Benjieming Liu,Xuantong Lei,Pooneh Khalilpoorkordi,Qingfeng Hou,Yuanyuan Wang,Zhangxin Chen
标识
DOI:10.1016/j.cis.2022.102774
摘要
A comprehensive understanding of interfacial behavior in water/oil/surfactant systems is critical to evaluating the performance of emulsions in various industries, specifically in the oil and gas industry. To gain fundamental knowledge regarding this interfacial behavior, atomistic methods, e.g., molecular dynamics (MD) simulation, can be employed; however, MD simulation cannot handle phenomena that require more than a million atoms. The coarse-grained mesoscale methods were introduced to resolve this issue. One of the most effective mesoscale coarse-grained approaches for simulating colloidal systems is dissipative particle dynamics (DPD), which bridges the gap between macroscopic time and length scales and molecular-scale simulation. This work reviews the fundamentals of DPD simulation and its progress on colloids and interface systems, especially surfactant/water/oil mixtures. The effects of temperature, salt content, a water/oil ratio, a shear rate, and a type of surfactant on the interfacial behavior in water/oil/surfactant systems using DPD simulation are evaluated. In addition, the obtained results are also investigated through the lens of the chemistry of surfactants and emulsions. The outcome of this comprehensive review demonstrates the importance of DPD simulation in various processes with a focus on the colloidal and interfacial behavior of surfactants at water-oil interfaces.
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