CAS OpenIR  > 中科院上海应用物理研究所2011-2019年
Upright or Flat Orientations of the Ethanol Molecules on a Surface with Charge Dipoles and the Implication for Wetting Behavior
Wang, CL; Zhao, L; Zhang, DH; Chen, JG; Shi, GS; Fang, HP; wangchunlei@sinap.ac.cn
2014
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY C
ISSN1932-7447
Volume118Issue:4Pages:1873—1878
AbstractUsing molecular dynamics simulations, we have found that the charge dipole length has a large effect on surface-ethanol adsorption behavior, particularly the orientations of the ethanol molecules of the first ethanol layer and subsequently the wetting behavior. At surfaces with large charge dipole length, an ordered ethanol monolayer forms with upright orientations of the ethanol molecules and an ethanol droplet forms on this ordered monolayer, which can be termed as "ordered ethanol monolayer does not completely wet ethanol". The upright orientations, with the OH groups buried beneath the monolayer, exclude the possibility of forming hydrogen bonds between the ordered ethanol monolayer and ethanol molecules in contact with the monolayer, leading to a phenomenon wherein the ordered ethanol monolayer does not completely wet ethanol. The strong binding mainly occurs between the negative charges of the surface and the OH group of the ethanol molecules while the hydrophobic ethyl tails point away from the surface. When the surface charge dipole length is small, a flat orientation of the first ethanol layer and an ethanol droplet are observed despite the large charge value. This can be attributed to weak surface ethanol interactions, where the steric exclusion effect prevents the OH group of the ethanol molecules from attaching to the surface charge dipoles. Our work shows the effect of the surface lattice structure on the orientations of the adsorbed ethanol molecules and the subsequent wetting behavior.
KeywordAqueous-solution Carbon Nanotubes Liquid Ethanol Water Dynamics Hydration Clusters Thermodynamics Denaturation Association
Indexed BySCI
Language英语
WOS IDWOS:000330610200014
Citation statistics
Cited Times:11[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/14543
Collection中科院上海应用物理研究所2011-2019年
Corresponding Authorwangchunlei@sinap.ac.cn
Recommended Citation
GB/T 7714
Wang, CL,Zhao, L,Zhang, DH,et al. Upright or Flat Orientations of the Ethanol Molecules on a Surface with Charge Dipoles and the Implication for Wetting Behavior[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2014,118(4):1873—1878.
APA Wang, CL.,Zhao, L.,Zhang, DH.,Chen, JG.,Shi, GS.,...&wangchunlei@sinap.ac.cn.(2014).Upright or Flat Orientations of the Ethanol Molecules on a Surface with Charge Dipoles and the Implication for Wetting Behavior.JOURNAL OF PHYSICAL CHEMISTRY C,118(4),1873—1878.
MLA Wang, CL,et al."Upright or Flat Orientations of the Ethanol Molecules on a Surface with Charge Dipoles and the Implication for Wetting Behavior".JOURNAL OF PHYSICAL CHEMISTRY C 118.4(2014):1873—1878.
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