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Molecular Dynamics Simulation Insight into Interfacial Stability and Fluidity Properties of Microemulsions
journal contribution
posted on 2019-10-09, 13:43 authored by Jule Ma, Xianyu Song, Jianhui Luo, Teng Zhao, Hongping Yu, Baoliang Peng, Shuangliang ZhaoAlthough 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.
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