Upright or Flat Orientations of the Ethanol Molecules on a Surface with Charge Dipoles and the Implication for Wetting Behavior
文献类型：期刊论文
| 作者 | Wang, CL ; Zhao, L ; Zhang, DH ; Chen, JG ; Shi, GS ; Fang, HP |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY C
 |
| 出版日期 | 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 |
| 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. |
入库方式： OAI收割
来源：上海应用物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。