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Molecular Insights into the Abnormal Wetting Behavior of Ionic Liquids Induced by the Solidified Ionic Layer

文献类型：期刊论文

作者Wang, Chenlu3; Qlan, Cheng3; Li, Zhen3; Wei, Ning2,3; Zhang, Ning3; Wang, Yanlei1; He, Hongyan1
刊名INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
出版日期2020-04-22
卷号59期号:16页码:8028-8036
ISSN号0888-5885
DOI10.1021/acs.iecr.0c00439
英文摘要Figuring out the wetting behavior and interfacial structure of ionic liquid (IL) droplets on solid surfaces is imperative for the new IL-based application in the field of chemical engineering. In this work, the quantitative relations between the wetting properties and solid surface property are explored through molecular dynamics simulations. Interestingly, two different equilibrium configurations, nonspreading structure and partial spreading structure, are identified for ILs when the solid interface property changes from hydrophobic to hydrophilic. Considering the quantitative relation between the contact angle (CA) and the solid surface energy (epsilon(s)), both EmimCl and EmimPF(6) show an abnormal wetting behavior compared with water, where the CA-epsilon(s) relation for ILs deviates the theoretical linear model when e s is beyond the critical surface energy epsilon(c). The reduced density distribution and orientation distribution show that ILs could form a denser solidified ionic layer near the solid surface, which will not happen to water. Moreover, the dynamical properties including the retention rate and vibrational displacement for ions and water molecules confirmed that the solidified ionic layer almost lost the fluid nature, while the adjacent water layer still possesses relatively high fluidity, especially when epsilon(s) > epsilon(c) That is to say, the dense solidified ionic layer which lost its mobility can bring about such an abnormal wetting behavior of ILs. These factors can serve as key indicators in characterizing the mechanism of the structural transition of ILs wetting the solid surface and facilitate the rational design of the surface modification or strain engineering of the solid substrates.
WOS关键词GRAPHENE OXIDE ; INTERFACE ; DYNAMICS ; FORCE ; AU(111) ; SURFACE ; WATER ; GRAPHITE ; FILMS ; VIEW
资助项目National Natural Science Foundation of China[21808220] ; National Natural Science Foundation of China[21890762] ; National Natural Science Foundation of China[21878295] ; National Natural Science Foundation of China[21776278] ; National Science Fund for Excellent Young Scholars[21922813]
WOS研究方向Engineering
语种英语
WOS记录号WOS:000529151200073
出版者AMER CHEMICAL SOC
资助机构National Natural Science Foundation of China ; National Science Fund for Excellent Young Scholars
源URL[http://ir.ipe.ac.cn/handle/122111/41004]  
专题中国科学院过程工程研究所
通讯作者Wei, Ning; Zhang, Ning; Wang, Yanlei
作者单位1.Chinese Acad Sci, Beijing Key Lab Ion Liquids Clean Proc, State Key Lab Multiphase Complex Syst, CAS Key Lab Green Proc & Engn,Inst Proc Engn, Beijing 100190, Peoples R China
2.Jiangnan Univ, Jiangsu Key Lab Adv Food Mfg Equipment & Technol, Wuxi 214122, Jiangsu, Peoples R China
3.Northwest A&F Univ, Key Lab Agr Soil & Water Engn Arid & Semiarid Are, Minist Educ, Yangling 712100, Shaanxi, Peoples R China
推荐引用方式
GB/T 7714		 Wang, Chenlu,Qlan, Cheng,Li, Zhen,et al. Molecular Insights into the Abnormal Wetting Behavior of Ionic Liquids Induced by the Solidified Ionic Layer[J]. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,2020,59(16):8028-8036.
APA Wang, Chenlu.,Qlan, Cheng.,Li, Zhen.,Wei, Ning.,Zhang, Ning.,...&He, Hongyan.(2020).Molecular Insights into the Abnormal Wetting Behavior of Ionic Liquids Induced by the Solidified Ionic Layer.INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,59(16),8028-8036.
MLA Wang, Chenlu,et al."Molecular Insights into the Abnormal Wetting Behavior of Ionic Liquids Induced by the Solidified Ionic Layer".INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 59.16(2020):8028-8036.

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来源：过程工程研究所

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