Effect of water molecules on nanoscale wetting behaviour of molecular ethanol on hydroxylated SiO2 substrate
文献类型：期刊论文
| 作者 | Nie, XC; Chen, JG; Sheng, N; Zeng, L; Yang, HJ; Wang, CL |
| 刊名 | MOLECULAR SIMULATION
 |
| 出版日期 | 2017 |
| 卷号 | 43期号:13-16页码:1377-1384 |
| 关键词 | Self-assembled Monolayers Dynamics Simulations Mesoporous Silica Room-temperature Metal-surfaces Ordered Water Force-field Interfaces Adsorption Removal |
| ISSN号 | 0892-7022 |
| DOI | 10.1080/08927022.2017.1353692 |
| 文献子类 | 期刊论文 |
| 英文摘要 | The wettability property of silica (SiO2) substrate by the ethanol molecules may play important roles in nanomedicine and nanomaterials fabrication. In this paper, by molecular dynamics (MD) simulations, we show that ethanol molecules can form an ordered monolayer on hydroxylated beta-cristobalite SiO2 (1 1 1) substrate, therefore an ethanol droplet can form on this ordered monolayer. We found that water molecules could affect the formation of ethanol monolayer on SiO2 surface when the amount of water molecules is large, thus regulates the wetting transformation of ethanol molecules. The absorbed water molecules would disrupt the ordered ethanol monolayer and the ethanol molecules could not form the droplet. |
| WOS关键词 | SELF-ASSEMBLED MONOLAYERS ; DYNAMICS SIMULATIONS ; MESOPOROUS SILICA ; ROOM-TEMPERATURE ; METAL-SURFACES ; ORDERED WATER ; FORCE-FIELD ; INTERFACES ; ADSORPTION ; REMOVAL |
| 语种 | 英语 |
| WOS记录号 | WOS:000416672600051 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/28629]  |
| 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 | Nie, XC,Chen, JG,Sheng, N,et al. Effect of water molecules on nanoscale wetting behaviour of molecular ethanol on hydroxylated SiO2 substrate[J]. MOLECULAR SIMULATION,2017,43(13-16):1377-1384. |
| APA | Nie, XC,Chen, JG,Sheng, N,Zeng, L,Yang, HJ,&Wang, CL.(2017).Effect of water molecules on nanoscale wetting behaviour of molecular ethanol on hydroxylated SiO2 substrate.MOLECULAR SIMULATION,43(13-16),1377-1384. |
| MLA | Nie, XC,et al."Effect of water molecules on nanoscale wetting behaviour of molecular ethanol on hydroxylated SiO2 substrate".MOLECULAR SIMULATION 43.13-16(2017):1377-1384. |
入库方式： OAI收割
来源：上海应用物理研究所
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