ITP OpenIR  > 理论物理所2015年知识产出
Insights on the Isotropic-to-Smectic A Transition in Ionic Liquid Crystals from Coarse-Grained Molecular Dynamics Simulations: The Role of Microphase Segregation
Saielli, G; Bagno, A; Wang, YT; Saielli, G (reprint author), CNR, Inst Membrane Technol, Unit Padova, Via Marzolo, I-35131 Padua, Italy.
2015
发表期刊JOURNAL OF PHYSICAL CHEMISTRY B
卷号119期号:9页码:3829-3836
文章类型Article
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.
学科领域Chemistry
资助者CINECA (ISCRA projects) [CGILC_HP10BB7HYH, SMACG_HP10BZQZGE] ; CINECA (ISCRA projects) [CGILC_HP10BB7HYH, SMACG_HP10BZQZGE] ; Italian National Research Council (CNR) ; Italian National Research Council (CNR) ; Chinese Academy of Sciences (CAS) ; Chinese Academy of Sciences (CAS) ; MIUR [PRIN 2010N3T9M4, FIRB RBAP11C58T] ; MIUR [PRIN 2010N3T9M4, FIRB RBAP11C58T] ; Fondazione CARIPARO (Progetti di Eccellenza NanoMode) ; Fondazione CARIPARO (Progetti di Eccellenza NanoMode) ; National Natural Science Foundation of China [11274319, 11121403] ; National Natural Science Foundation of China [11274319, 11121403] ; Theoretical and Computational Biophysics group at the Beckman Institute, University of Illinois at Urbana-Champaign ; Theoretical and Computational Biophysics group at the Beckman Institute, University of Illinois at Urbana-Champaign ; CINECA (ISCRA projects) [CGILC_HP10BB7HYH, SMACG_HP10BZQZGE] ; CINECA (ISCRA projects) [CGILC_HP10BB7HYH, SMACG_HP10BZQZGE] ; Italian National Research Council (CNR) ; Italian National Research Council (CNR) ; Chinese Academy of Sciences (CAS) ; Chinese Academy of Sciences (CAS) ; MIUR [PRIN 2010N3T9M4, FIRB RBAP11C58T] ; MIUR [PRIN 2010N3T9M4, FIRB RBAP11C58T] ; Fondazione CARIPARO (Progetti di Eccellenza NanoMode) ; Fondazione CARIPARO (Progetti di Eccellenza NanoMode) ; National Natural Science Foundation of China [11274319, 11121403] ; National Natural Science Foundation of China [11274319, 11121403] ; Theoretical and Computational Biophysics group at the Beckman Institute, University of Illinois at Urbana-Champaign ; Theoretical and Computational Biophysics group at the Beckman Institute, University of Illinois at Urbana-Champaign
DOIhttp://dx.doi.org/10.1021/jp5104565
关键词[WOS]SPATIAL HETEROGENEITY ; BEHAVIOR ; AGGREGATION ; DIFFUSION ; DESIGN ; MODELS ; SALTS
收录类别SCI
语种英语
资助者CINECA (ISCRA projects) [CGILC_HP10BB7HYH, SMACG_HP10BZQZGE] ; CINECA (ISCRA projects) [CGILC_HP10BB7HYH, SMACG_HP10BZQZGE] ; Italian National Research Council (CNR) ; Italian National Research Council (CNR) ; Chinese Academy of Sciences (CAS) ; Chinese Academy of Sciences (CAS) ; MIUR [PRIN 2010N3T9M4, FIRB RBAP11C58T] ; MIUR [PRIN 2010N3T9M4, FIRB RBAP11C58T] ; Fondazione CARIPARO (Progetti di Eccellenza NanoMode) ; Fondazione CARIPARO (Progetti di Eccellenza NanoMode) ; National Natural Science Foundation of China [11274319, 11121403] ; National Natural Science Foundation of China [11274319, 11121403] ; Theoretical and Computational Biophysics group at the Beckman Institute, University of Illinois at Urbana-Champaign ; Theoretical and Computational Biophysics group at the Beckman Institute, University of Illinois at Urbana-Champaign ; CINECA (ISCRA projects) [CGILC_HP10BB7HYH, SMACG_HP10BZQZGE] ; CINECA (ISCRA projects) [CGILC_HP10BB7HYH, SMACG_HP10BZQZGE] ; Italian National Research Council (CNR) ; Italian National Research Council (CNR) ; Chinese Academy of Sciences (CAS) ; Chinese Academy of Sciences (CAS) ; MIUR [PRIN 2010N3T9M4, FIRB RBAP11C58T] ; MIUR [PRIN 2010N3T9M4, FIRB RBAP11C58T] ; Fondazione CARIPARO (Progetti di Eccellenza NanoMode) ; Fondazione CARIPARO (Progetti di Eccellenza NanoMode) ; National Natural Science Foundation of China [11274319, 11121403] ; National Natural Science Foundation of China [11274319, 11121403] ; Theoretical and Computational Biophysics group at the Beckman Institute, University of Illinois at Urbana-Champaign ; Theoretical and Computational Biophysics group at the Beckman Institute, University of Illinois at Urbana-Champaign
WOS类目Chemistry, Physical
引用统计
文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/21066
专题理论物理所2015年知识产出
通讯作者Saielli, G (reprint author), CNR, Inst Membrane Technol, Unit Padova, Via Marzolo, I-35131 Padua, Italy.
推荐引用方式
GB/T 7714
Saielli, G,Bagno, A,Wang, YT,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[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2015,119(9):3829-3836.
APA Saielli, G,Bagno, A,Wang, YT,&Saielli, G .(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.
条目包含的文件
文件名称/大小 文献类型 版本类型 开放类型 使用许可
Insights on the Isot(1431KB)期刊论文出版稿开放获取CC BY-NC-SA请求全文
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Saielli, G]的文章
[Bagno, A]的文章
[Wang, YT]的文章
百度学术
百度学术中相似的文章
[Saielli, G]的文章
[Bagno, A]的文章
[Wang, YT]的文章
必应学术
必应学术中相似的文章
[Saielli, G]的文章
[Bagno, A]的文章
[Wang, YT]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。