文献类型：期刊文献

英文题名：Molecular Dynamics Simulation Insight into Interfacial Stability and Fluidity Properties of Microemulsions

作者：Ma, Jule[1,2];Song, Xianyu[1,2];Luo, Jianhui[3,4];Zhao, Teng[1,2];Yu, Hongping[1,2];Peng, Baoliang[3,4];Zhao, Shuangliang[1,2]

机构：[1]East China Univ Sci & Technol, State Key Lab Chem Engn, 130 Meilong Rd, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Sch Chem Engn, 130 Meilong Rd, Shanghai 200237, Peoples R China;[3]PetroChina, RIPED, Beijing 100083, Peoples R China;[4]CNPC, KLNC, Beijing 100083, Peoples R China

年份：2019

卷号：35

期号：42

起止页码：13636

外文期刊名：LANGMUIR

收录：;EI(收录号：20194207530326);WOS:【SCI-EXPANDED(收录号:WOS:000492800800014)】；

基金：This work was supported by the National Natural Science Foundation of China (Nos. 21878078 and 21808056) and by the PetroChina Scientific Research and Technology Development Project (2018A-0907).

语种：英文

外文关键词：Emulsification - Phase interfaces - Fluidity - Molecular dynamics

摘要：Although the interfacial properties of microemulsions have been extensively studied in both experimental and simulation research studies, the molecular mechanisms of stability and fluidity about microemulsion are still poorly understood. Herein, we report a molecular dynamics simulation study to elaborate the motion of an emulsion droplet involving dichain surfactant Aerosol OT (AOT) and its dynamics evolution at the oil-water interface. By varying the concentrations of AOT, we show that the interfacial thickness and emulsification rate display a piecewise change as the interfacial coverage increases and the W/O emulsion is more stable than the O/W one while O/W emulsion presents better fluidity. In addition, the dispersed system combined with water/AOT/n-heptane tends to form a W/O microemulsion instead of an O/W microemulsion due to the structural collapse of the latter. This work provides a molecular understanding of microemulsion interfacial stability and fluidity.