Insights on the Isotropic-to-Smectic A Transition in Ionic Liquid Crystals from Coarse-Grained Molecular Dynamics Simulations: The Role of Microphase Segregation
文献类型：期刊论文
| 作者 | Saielli, G; Bagno, A; Wang, YT
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| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY B
 |
| 出版日期 | 2015 |
| 卷号 | 119期号:9页码:3829-3836 |
| 通讯作者 | Saielli, G (reprint author), CNR, Inst Membrane Technol, Unit Padova, Via Marzolo, I-35131 Padua, Italy. |
| 英文摘要 | We have investigated the role of microphase segregation as the driving force in the stabilization of thermotropic ionic liquid crystals of smectic type. To this end we have applied the heterogeneity order parameter, initially proposed for ionic liquids, to the coarse-grained molecular dynamics simulation results for a model system of an imidazolium nitrate ionic liquid crystal, [C(16)mim][NO3], whose phase diagram was recently studied. We have found that the heterogeneity order parameters become larger when the system goes through the transition from the isotropic phase to the smectic A phase as the temperature decreases. This can be understood by considering that, in the smectic A phase, the layered structure allows the tail groups to have a degree of aggregation larger than that in the isotropic phase. Our results highlight the role of microsegregation in the stabilization of ionic liquid crystals, which cannot be revealed by the commonly used translational and orientational order parameters used to describe liquid crystal phases. |
| 学科主题 | Chemistry |
| 类目[WOS] | Chemistry, Physical |
| 关键词[WOS] | SPATIAL HETEROGENEITY ; BEHAVIOR ; AGGREGATION ; DIFFUSION ; DESIGN ; MODELS ; SALTS |
| 收录类别 | SCI |
| 语种 | 英语 |
| 源URL | [http://ir.itp.ac.cn/handle/311006/21066]  |
| 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 | Saielli, G,Bagno, A,Wang, YT. Insights on the Isotropic-to-Smectic A Transition in Ionic Liquid Crystals from Coarse-Grained Molecular Dynamics Simulations: The Role of Microphase Segregation[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2015,119(9):3829-3836. |
| APA | Saielli, G,Bagno, A,&Wang, YT.(2015).Insights on the Isotropic-to-Smectic A Transition in Ionic Liquid Crystals from Coarse-Grained Molecular Dynamics Simulations: The Role of Microphase Segregation.JOURNAL OF PHYSICAL CHEMISTRY B,119(9),3829-3836. |
| MLA | Saielli, G,et al."Insights on the Isotropic-to-Smectic A Transition in Ionic Liquid Crystals from Coarse-Grained Molecular Dynamics Simulations: The Role of Microphase Segregation".JOURNAL OF PHYSICAL CHEMISTRY B 119.9(2015):3829-3836. |
入库方式： OAI收割
来源：理论物理研究所
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