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采用MesoDyn密度泛函方法研究了月桂醇聚氧乙烯醚(C12E10)与十二烷基硫酸钠体系(SDS)之间的相互作用,模拟了它们的聚集体形成的微观动态过程以及聚集形貌的演变,研究了剪切作用对相行为的影响.通过二维密度切片图,探讨了C12E10/SDS复配体系中珠子间的聚集方式.在此基础上,以苯、正辛醇为油污代表,直观地比较了C12E10/SDS对这两种油污的去除机理的差异.结果表明:非离子表面活性剂C12E10与阴离子表面活性剂SDS之间存在很强的协同作用,在各自浓度很低时就会有聚集行为发生.剪切作用对体系相行为的影响在一定程度上解释了真实实验与模拟的差别原因所在.对密度切片图的观察可得出由于所选油污结构的差异导致了复配体系对其增溶方式的差异.
MesoDyn density functional theory was used to study the interaction between polyoxyethylene laureth-10 (C12E10) and sodium dodecyl sulfate (SDS) system, and to simulate the microscopic dynamic process of their aggregates formation and the aggregation morphology And the effect of shear on the phase behavior was studied.According to the two-dimensional density section, the mode of aggregation among the beads in the C12E10 / SDS complex system was discussed.On the basis of this, The differences of removal mechanisms of these two oils were visually compared.The results showed that there was a strong synergy between the nonionic surfactant C12E10 and the anionic surfactant SDS, Aggregation behavior occurs.The effect of shear on system phase behavior explains to a certain extent the difference between the real experiment and the simulation.The observation of density section shows that due to the difference of the selected oil structure, Differences in the way of solubilization.