典型文献
Molecular dynamics simulation study on π-π stacking of Gemini surfactants in oil/water systems
文献摘要：
Whereas the π-π stacking interactions at oil/water interfaces can affect interfacial structures hence the interfacial properties,the underlying microscopic mechanism remains largely unknown.We reported an all-atom molecular dynamics(MD)simulation study to demonstrate how the Gemini surfactants with pyrenyl groups affect the interfacial properties,structural conformations,and the motion of molecules in the water/n-octane/surfactant ternary systems.It is found that the pyrenyl groups tend to be vertical to the interface owing to the π-π stacking interaction.Besides,a synergistic effect between the π-π interac-tion and steric hindrance is found,which jointly affects the coalescence of liquid droplets.Therefore,the existence of aromatic groups and a moderate number of surfactants helps to form microemulsion.This work provides a molecular understanding of Gemini surfactants with aromatic groups in microemulsion preparation and applications.
文献关键词：
中图分类号：
作者姓名：
Jule Ma;Peiwen Xiao;Pingmei Wang;Xue Han;Jianhui Luo;Ruifang Shi;Xuan Wang;Xianyu Song;Shuangliang Zhao
作者机构：
State Key Laboratory of Chemical Engineering and School of Chemical Engineering,East China University of Science and Technology,Shanghai 200237,China;Research Institute of Petroleum Exploration&Development(RIPED),PetroChina,Beijing 100083,China;Key Laboratory of Nano Chemistry(KLNC),CNPC,Beijing 100083,China;Key Laboratory of Water Environment Evolution and Pollution Control in Three Gorges Reservoir,School of Environmental and Chemical Engineering,Chongqing Three Gorges University,Chongqing 404100,China;Guangxi Key Laboratory of Petrochemical Resource Processing and Process Intensification Technology and School of Chemistry and Chemical Engineering,Guangxi University,Nanning 530004,China
文献出处：
引用格式：
[1]Jule Ma;Peiwen Xiao;Pingmei Wang;Xue Han;Jianhui Luo;Ruifang Shi;Xuan Wang;Xianyu Song;Shuangliang Zhao-.Molecular dynamics simulation study on π-π stacking of Gemini surfactants in oil/water systems)[J].中国化学工程学报（英文版）,2022(10):335-346
A类：
pyrenyl
B类：
Molecular,dynamics,simulation,study,stacking,Gemini,surfactants,oil,water,systems,Whereas,interactions,interfaces,can,interfacial,structures,hence,properties,underlying,microscopic,mechanism,remains,largely,unknown,We,reported,all,atom,molecular,MD,demonstrate,how,groups,structural,conformations,motion,molecules,octane,ternary,It,found,that,tend,vertical,owing,Besides,synergistic,effect,between,steric,hindrance,which,jointly,affects,coalescence,liquid,droplets,Therefore,existence,aromatic,moderate,number,helps,microemulsion,This,work,provides,understanding,preparation,applications
AB值：
0.556379
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