ITP OpenIR  > 理论物理所科研产出  > SCI论文
Saielli, G; Voth, GA; Wang, YT; Saielli, G (reprint author), Univ Padua, CNR, Ist Tecnol Membrane, Unita Padova, Via Marzolo 1, I-35131 Padua, Italy.
Diffusion mechanisms in smectic ionic liquid crystals: insights from coarse-grained MD simulations
Source PublicationSOFT MATTER
Language英语
KeywordMolecular-dynamics Simulations Alkyl Chain-length Gay-berne Mesogen Self-diffusion Translational Diffusion Physicochemical Properties Atomistic Simulations Computer-simulation Imidazolium Salts Order Parameters
AbstractWe 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.
2013
ISSN1744-683X
Volume9Issue:24Pages:5716-5725
Subject AreaPhysics
Indexed BySCI
Funding OrganizationMIUR [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] ; 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] ; 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] ; 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]
Citation statistics
Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/15448
Collection理论物理所科研产出_SCI论文
Corresponding AuthorSaielli, G (reprint author), Univ Padua, CNR, Ist Tecnol Membrane, Unita Padova, Via Marzolo 1, I-35131 Padua, Italy.
Recommended Citation
GB/T 7714
Saielli, G,Voth, GA,Wang, YT,et al. Diffusion mechanisms in smectic ionic liquid crystals: insights from coarse-grained MD simulations[J]. SOFT MATTER,2013,9(24):5716-5725.
APA Saielli, G,Voth, GA,Wang, YT,&Saielli, G .(2013).Diffusion mechanisms in smectic ionic liquid crystals: insights from coarse-grained MD simulations.SOFT MATTER,9(24),5716-5725.
MLA Saielli, G,et al."Diffusion mechanisms in smectic ionic liquid crystals: insights from coarse-grained MD simulations".SOFT MATTER 9.24(2013):5716-5725.
Files in This Item:
File Name/Size DocType Version Access License
Diffusion mechanisms(773KB) 开放获取LicenseApplication Full Text
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Saielli, G]'s Articles
[Voth, GA]'s Articles
[Wang, YT]'s Articles
Baidu academic
Similar articles in Baidu academic
[Saielli, G]'s Articles
[Voth, GA]'s Articles
[Wang, YT]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Saielli, G]'s Articles
[Voth, GA]'s Articles
[Wang, YT]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.