Impact of -C2H5 and -OH Functionalizations on the Water Flow Blockage in Carbon Nanotubes
文献类型：期刊论文
| 作者 | Qin, JY; Zhu, BE; Liang, SS; Guo, P; Liu, J |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY C
 |
| 出版日期 | 2018 |
| 卷号 | 122期号:22页码:11807-11813 |
| 关键词 | Cation-pi Interactions Graphene Oxide Membranes Molecular-dynamics Ion Selectivity Metal Ions Transport Desalination Surface Pores Size |
| ISSN号 | 1932-7447 |
| DOI | 10.1021/acs.jpcc.8b01204 |
| 文献子类 | 期刊论文 |
| 英文摘要 | Carbon nanotube (CNT) filter membranes are excellent promising materials for efficient desalination. In our previous studies (Phys. Rev. Lett. 2015, 115, 164502) we showed that Na+ cations in seawater would easily bind at the entrance of the pristine CNT due to cation-pi interaction, resulting in the blocking of water flow through the nanotube. Here, we systematically investigate the binding behavior of ions and blockage effects of water flow in much more chemically realistic CNTs that are functionalized at the ends with various density of hydrophilic OH or hydrophobic -C2H5 groups. Our findings show that hydrophobic -C2H5 groups will weaken the cation-pi interaction between Na+ ions and CNTs, and accordingly, water flows through the CNTs fluently. CNTs functionalized with -C2H5 groups in moderate density are expected to work excellently in desalination application, whereas functionalization with hydrophilic OH groups cannot prevent the blockage of water. This finding brings insights in designing efficient desalination filter materials based on CNT. |
| 语种 | 英语 |
| WOS记录号 | WOS:000435020300023 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/29039]  |
| 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 |
| 作者单位 | 1.Qin, JY 2.Zhu, BE 3.Liang, SS 4.Guo, P 5.Liu, J |
| 推荐引用方式 GB/T 7714 | Qin, JY,Zhu, BE,Liang, SS,et al. Impact of -C2H5 and -OH Functionalizations on the Water Flow Blockage in Carbon Nanotubes[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2018,122(22):11807-11813. |
| APA | Qin, JY,Zhu, BE,Liang, SS,Guo, P,&Liu, J.(2018).Impact of -C2H5 and -OH Functionalizations on the Water Flow Blockage in Carbon Nanotubes.JOURNAL OF PHYSICAL CHEMISTRY C,122(22),11807-11813. |
| MLA | Qin, JY,et al."Impact of -C2H5 and -OH Functionalizations on the Water Flow Blockage in Carbon Nanotubes".JOURNAL OF PHYSICAL CHEMISTRY C 122.22(2018):11807-11813. |
入库方式： OAI收割
来源：上海应用物理研究所
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