微乳液
耗散颗粒动力学模拟
分子动力学
化学工程
表面张力
盐(化学)
化学
材料科学
热力学
有机化学
肺表面活性物质
聚合物
计算化学
物理
工程类
作者
Haixia Zhang,Zhenxing Zhu,Zongxu Wu,Fang Wang,Bin Xu,Shoulong Wang,Lijuan Zhang
标识
DOI:10.1080/01932691.2021.1961588
摘要
To study the formation and stability of the O/W and reverse W/O microemulsion, dissipative particle dynamics (DPD) simulation was utilized to investigate the system composed of oil, water and Gemini surfactants. The effects of oil-water ratio, temperature, inorganic salt and shear rate were discussed in the simulation. Controlled of the formation process and stability of microemulsions by analyzing the interfacial tension of oil and water interfaces, end-to-end distance of Gemini surfactants and the translucent three-dimensional structures of formed aggregates. Two types microemulsions could form and mutually transform with changing the oil-water ratio. In conclusion, the O/W microemulsion has better temperature, salt and shear tolerance comparing to the reverse W/O microemulsion. The results of the research using DPD simulation expanded the theoretical knowledge of microemulsion on the molecular level, which is of great importance to develop new microemulsion systems with other surfactants and provided better theoretical guidance for the application of microemulsions.
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