Diffusion mechanisms in smectic ionic liquid crystals: insights from coarse-grained MD simulations
文献类型：期刊论文
| 作者 | Wang, YT
|
| 刊名 | SOFT MATTER
 |
| 出版日期 | 2013 |
| 卷号 | 9期号:24页码:5716-5725 |
| 关键词 | MOLECULAR-DYNAMICS SIMULATIONS ALKYL CHAIN-LENGTH GAY-BERNE MESOGEN SELF-DIFFUSION TRANSLATIONAL DIFFUSION PHYSICOCHEMICAL PROPERTIES ATOMISTIC SIMULATIONS COMPUTER-SIMULATION IMIDAZOLIUM SALTS ORDER PARAMETERS |
| ISSN号 | 1744-683X |
| 通讯作者 | Saielli, G (reprint author), Univ Padua, CNR, Ist Tecnol Membrane, Unita Padova, Via Marzolo 1, I-35131 Padua, Italy. |
| 英文摘要 | We present the results of MD simulations, using a coarse grained force field, concerning the mechanism of diffusion in ionic liquid crystals. The dynamical properties of the recently characterized (G. Saielli, Soft Matter, 2012, 8, 10279) model system of 1-hexadecyl-3-methylimidazolium nitrate in the smectic A phase are analysed in detail. Comparison is made with the dynamical behaviour of thermotropic non-ionic smectic liquid crystals (LCs) and with that of lamellar phases of surfactant-water mixtures. The self-diffusion anisotropy, that is the ratio between the parallel and perpendicular diffusion coefficients, is consistent with that of non-ionic smectic LCs, though a significant contribution to the parallel diffusion is given by "pore" defects, similarly to what was observed in lamellar phases. |
| 学科主题 | Physics |
| 收录类别 | SCI |
| 资助信息 | MIUR [PRIN HI-PHUTURE 2010N3T9M4_001, FIRB RBAP11C58Y_003]; Fondazione CARIPARO "Nano-Mode -Progetti di Eccellenza"; Royal Society of Chemistry; NSFC [11274319, 11121403]; Hundred Talent Program of the CAS; Air Force Office of Scientific Research (AFOSR) [FA955010-1-0142] |
| 原文出处 | http://dx.doi.org/10.1039/c3sm50375e |
| 语种 | 英语 |
| WOS记录号 | WOS:000319872000008 |
| 公开日期 | 2014-04-25 |
| 源URL | [http://ir.itp.ac.cn/handle/311006/15448]  |
| 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. Diffusion mechanisms in smectic ionic liquid crystals: insights from coarse-grained MD simulations[J]. SOFT MATTER,2013,9(24):5716-5725. |
| APA | Wang, YT.(2013).Diffusion mechanisms in smectic ionic liquid crystals: insights from coarse-grained MD simulations.SOFT MATTER,9(24),5716-5725. |
| MLA | Wang, YT."Diffusion mechanisms in smectic ionic liquid crystals: insights from coarse-grained MD simulations".SOFT MATTER 9.24(2013):5716-5725. |
入库方式： OAI收割
来源：理论物理研究所
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