肺表面活性物质
表面张力
单层
分子动力学
化学
化学工程
电场
化学物理
热力学
计算化学
生物化学
量子力学
物理
工程类
作者
Pengjun Shi,Hui Zhang,Lin Lin,Chunhui Song,Qingguo Chen,Ze-Sheng Li
标识
DOI:10.1080/01932691.2017.1392319
摘要
In the present study, we have performed molecular dynamics simulations to describe the microscopic behaviors of the anionic, nonionic, zwitterion, and gemini surfactants at oil/water interface. The abilities of reducing the interfacial tension and forming the stable interfacial film of the four surfactants have been investigated through evaluating interfacial thickness, interface formation energy and radial distribution function. The results show that the four kinds of surfactants can form in stable oil/water interface of monolayer, and the gemini surfactant can form the more stable monolayer. The results of the above three parameters demonstrate that the gemini surfactant has the best simulation effect in the four surfactants. From the calculated interfacial tension values, the gemini surfactant possess the more powerful ability of reducing the interfacial tension than others, so it is more suitable to be used as the surfactant for flooding. In addition, the effects of different electric field intensities on surfactants were calculated, through the radial distribution function of the hydrophilic group in the surfactant and the oxygen atom in the water. We have found that the adding of the periodic electric field can significantly affect the diffusion behavior of the molecules, and nonionic surfactant has stronger demulsification capability than others.
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