Effect of the Chain Length on the Structure of Ionic Liquids: from Spatial Heterogeneity to Ionic Liquid Crystals
文献类型：期刊论文
| 作者 | Wang, YT
|
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY B
 |
| 出版日期 | 2013 |
| 卷号 | 117期号:4页码:1104-1109 |
| 关键词 | COARSE-GRAINED MODELS NANOSTRUCTURAL ORGANIZATION TAIL AGGREGATION SOLAR-CELLS DYNAMICS SALTS SIMULATION BEHAVIOR SYSTEMS |
| ISSN号 | 1520-6106 |
| 通讯作者 | Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, 55 E Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China. |
| 英文摘要 | Ionic liquids with intermediate nonpolar cationic side-chain lengths are known to have nanoscale spatial heterogeneities with nonpolar tail domains separated by a continuous polar network. In this work, we use coarse-grained molecular dynamics simulations to show that, when the nonpolar cationic side chain is sufficiently long, due to the stronger van der Waals interactions between the side chains, the structure of ionic liquids goes through a transition from spatially heterogeneous to liquid crystalline-like. For XMIm(+)/NO3- ionic liquids, change occurs when the number of carbon groups on the cationic side chain varies from 14 to 16. In the liquid crystal-like phase, the cationic side chains tend to be parallel to each other, while the cationic head groups and anions, although being mostly layered perpendicularly to the direction along the side chains, still form a continuous polar network. |
| 学科主题 | Physics |
| 收录类别 | SCI |
| 资助信息 | National Natural Science Foundation of China [10974208, 11121403]; Chinese Academy of Sciences (CAS); CAS-CNR; MIUR [PRIN 20085M27SS, FIRB RBAP11C58Y]; Fondazione CARIPARO |
| 原文出处 | http://dx.doi.org/10.1021/jp310231f |
| 语种 | 英语 |
| WOS记录号 | WOS:000314492300015 |
| 公开日期 | 2014-04-25 |
| 源URL | [http://ir.itp.ac.cn/handle/311006/15427]  |
| 专题 | 理论物理研究所_理论物理所1978-2010年知识产出 |
| 推荐引用方式 GB/T 7714 | Wang, YT. Effect of the Chain Length on the Structure of Ionic Liquids: from Spatial Heterogeneity to Ionic Liquid Crystals[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2013,117(4):1104-1109. |
| APA | Wang, YT.(2013).Effect of the Chain Length on the Structure of Ionic Liquids: from Spatial Heterogeneity to Ionic Liquid Crystals.JOURNAL OF PHYSICAL CHEMISTRY B,117(4),1104-1109. |
| MLA | Wang, YT."Effect of the Chain Length on the Structure of Ionic Liquids: from Spatial Heterogeneity to Ionic Liquid Crystals".JOURNAL OF PHYSICAL CHEMISTRY B 117.4(2013):1104-1109. |
入库方式： OAI收割
来源：理论物理研究所
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