日用化学工业2018，Vol.48Issue(5)：243-246,4.DOI:10.13218/j.cnki.csdc.2018.05.001
OPEO表面活性剂在油/水界面的分子动力学模拟
Molecular dynamics simulation of OPEO surfactants at oil-water interface
候孟蝶 1李惠萍 1胡子昭 1宋宏伟1
作者信息
- 1. 新疆大学化学化工学院,新疆 乌鲁木齐 830046
- 折叠
摘要
Abstract
Polyoxyethylene octylphenol ether (OPEO) is a commonly used nonionic surfactant that can significantly reduce the interfacial tension of oil-water systems. The vinyl acetate/water system was chosen as the oil-water system. Molecular dynamics (MD) simulation methods in MS7. 0 software was used. By changing the number of oxyethylene groups in OPEO, the interface formation energy, interface thickness and other parameters for the oil/surfactant/water system were measured at normal temperature and pressure. Results show that when the number of oxyethylene groups is 12, the interface formation energy of OPEO is relatively high, and its ability to reduce the interfacial tension of vinyl acetate/water system is relatively good.关键词
辛基酚聚氧乙烯醚/分子模拟/界面生成能/界面厚度Key words
polyoxyethylene octylphenol ether/molecular simulation/interface formation energy/interface thickness分类
化学化工引用本文复制引用
候孟蝶,李惠萍,胡子昭,宋宏伟..OPEO表面活性剂在油/水界面的分子动力学模拟[J].日用化学工业,2018,48(5):243-246,4.
