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Mesoscopic Simulation of Aggregates in Surfactant/Oil/Water Systems
引用本文:苑世领,蔡政亭,徐桂英.Mesoscopic Simulation of Aggregates in Surfactant/Oil/Water Systems[J].中国化学,2003,21(2):112-116.
作者姓名:苑世领  蔡政亭  徐桂英
作者单位:[1]InstituteofColloidandInterfaceChemistry,ShandongUniversity,Jinan,Shandong250100,China [2]InstituteofTheoreticalChemistry,ShandongUniversity,Jinan,Shandong250100,China
基金项目:ProjectsupportedbytheNaturalScienceFoundationofShandongProvince (No .Y2 0 0 1B0 8)
摘    要:The aggregates in sodium dedecylsulphate(SDS)/dimethylbenzene/water systems have been investigated using dissipative particles dynamic(DPD) simulation method.Through analyzing three-dimensional structures of aggregates,three simulated results are found.One is the phase separation,which is clearly observed by water density and the aggregates in the simulated cell;another is the water morphology in reverse micelle,which can be found through the isodensity slice of water including bound water,trapped water and bulky water;the third is about the water/oil interface,i.e.,ionic surfactant molecules,SDS,prefer to exist in the interface between water and oil phase at the low concentraion.

关 键 词:表面活性剂  油/水混合体系  聚集  模拟  DPD  动力学

Mesoscopic Simulation of Aggregates in Surfactant/Oil/Water Systems
Yuan Shi‐Ling,Cai Zheng‐Ting,Xu Gui‐Ying.Mesoscopic Simulation of Aggregates in Surfactant/Oil/Water Systems[J].Chinese Journal of Chemistry,2003,21(2):112-116.
Authors:Yuan Shi‐Ling  Cai Zheng‐Ting  Xu Gui‐Ying
Abstract:The aggregates in sodium dedecylsulphate (SDS)/dimethylbenzene/water systems have been investigated using dissipative particles dynamic (DPD) simulation method. Through analyzing three dimensional structures of aggregates, three simulated results are found. One is the phase separation, which is clearly observed by water density and the aggregates in the simulated cell; another is the water morphology in reverse micelle, which can be found through the isodensity slice of water including bound water, trapped water and bulky water; the third is about the water/oil interface, i.e., ionic surfactant molecules, SDS, prefer to exist in the interface between water and oil phase at the low concentration.
Keywords:mesoscopic simulation  dissipative particles dynamic (DPD)  surfactant/oil/water system
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