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Dissipative particle dynamics simulation on the properties of the oil/water/surfactant system in the absence and presence of polymer

机译:在不存在和存在聚合物的情况下油/水/表面活性剂系统性能的耗散粒子动力学模拟

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摘要

Dissipative particle dynamics is used to simulate the oil/water/surfactant system in the absence and presence of polymer. Structural properties, interfacial properties, and their dependence on the surfactant concentration, polymer concentration and oil/water ratio were investigated. The snapshots illustrate the variation of the structure of oil/water/surfactant system. In the presence of polymer, the interface is supersaturated at a lower surfactant concentration. The end-to-end distance increases with surfactant concentration and polymer chains but shows weak dependence on the oil/water ratio. The peak of density grows higher with surfactant concentration, but it is not affected by oil/water ratio. The density profiles of polymer grow higher with polymer chains, indicating that most of the polymer chains stay at the interface for stability. Interfacial thickness shows an adsorption of polymer/surfactant complexes at the interface, where the polymer is in an extended conformation at the interface. The formation of polymer/surfactant complexes is favourable for the decrease of oil/water interfacial tension.
机译:在没有聚合物存在的情况下,耗散粒子动力学用于模拟油/水/表面活性剂系统。研究了结构性质,界面性质及其对表面活性剂浓度,聚合物浓度和油水比的依赖性。快照说明了油/水/表面活性剂系统结构的变化。在聚合物存在下,界面在较低的表面活性剂浓度下会过饱和。端到端的距离随表面活性剂浓度和聚合物链的增加而增加,但对油/水比的依赖性较弱。密度的峰值随表面活性剂浓度的增加而增大,但不受油/水比的影响。聚合物的密度分布随聚合物链增长得更高,表明大多数聚合物链停留在界面处以保持稳定性。界面厚度显示聚合物/表面活性剂复合物在界面处的吸附,其中聚合物在界面处呈扩展构象。聚合物/表面活性剂复合物的形成有利于降低油/水界面张力。

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