School of Materials Science and Engineering, Nanyang Technological University, 639798, Singapore.
Sci Rep. 2016 Nov 17;6:37386. doi: 10.1038/srep37386.
The super-saturated surfactant monolayer collapses with the nanoparticles (NPs) at the water/trichloroethylene (TCE) interface are investigated using molecular dynamics (MD) simulations. The results show that sodium alkyl sulfate (SDS) monolayer collapse is initiated by buckling and followed primarily by budding and the bud encapsulating the NPs and oil molecules. The developed bud detaches from the monolayer into a water phase and forms the swollen micelle emulsion with NPs and oil molecules. We investigate the wavelength of the initial budding and the theoretical description of the budding process. The wavelength of the monolayer increases with bending modulus. The energy barrier of the budding can be easily overcome by thermal fluctuation energy, which indicates that budding process proceeds rapidly.
采用分子动力学（MD）模拟研究了水/三氯乙烯（TCE）界面上带有纳米颗粒（NPs）的超饱和表面活性剂单层的坍塌。结果表明，十二烷基硫酸钠（SDS）单层的坍塌是由弯曲引发的，随后主要是由出芽和芽包裹 NPs 和油分子引起的。形成的芽从单层中脱离进入水相，并与 NPs 和油分子形成肿胀的胶束乳液。我们研究了初始出芽的波长以及出芽过程的理论描述。单层的波长随弯曲弹性系数的增加而增加。出芽过程的能量势垒很容易被热波动能量克服，这表明出芽过程进行得很快。
