Upright or Flat Orientations of the Ethanol Molecules on a Surface with Charge Dipoles and the Implication for Wetting Behavior

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	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
刊名	JOURNAL OF PHYSICAL CHEMISTRY C
	2014
卷号	118 期号:4 页码:1873—1878
关键词	AQUEOUS-SOLUTION CARBON NANOTUBES LIQUID ETHANOL WATER DYNAMICS HYDRATION CLUSTERS THERMODYNAMICS DENATURATION ASSOCIATION
ISSN号	1932-7447
通讯作者	wangchunlei@sinap.ac.cn
英文摘要	Using 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.
收录类别	SCI
语种	英语
WOS记录号	WOS:000330610200014
公开日期	2015-03-13
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/14543]
专题	上海应用物理研究所_中科院上海应用物理研究所2011-2017年
推荐引用方式 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,&Fang, HP.(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.