ITP OpenIR  > SCI期刊论文
Cao, Wudi1; Senthilkumar, Beeran; Causin, Valerio3; Swamy, Vincent P.; Wang, Yanting1; Saielli, Giacomo3,4
Influence of the ion size on the stability of the smectic phase of ionic liquid crystals
Source PublicationSOFT MATTER
Language英语
KeywordMOLECULAR-DYNAMICS SIMULATIONS SPATIAL HETEROGENEITY THERMAL-BEHAVIOR CHAIN-LENGTH GUANIDINIUM TRANSITION AGGREGATION TRANSPORT INSIGHTS STATE
AbstractThe thermotropic phase behavior of ionic liquids and ionic liquid crystals based on novel N-alkyl-3-methylpyridinium halides, trihalides and dichloroiodates was experimentally studied by polarized optical spectroscopy (POM) and differential scanning calorimetry (DSC) as well as by molecular dynamics (MD) simulation. In the experiments, the existence and thermal range of stability of the smectic phase of these ionic liquid crystals are found to strongly depend on the volume ratio between the cation and anion, that is their relative size. Only compounds with a relatively large volume ratio of the cation to anion, i.e., those with longer cationic alkyl chains and monoatomic halide anions, have a stable smectic A phase. Both melting points and clearing points increase with such a ratio. The MD simulation results qualitatively agree very well with the experimental data and provide molecular details which can explain the experimentally observed phenomena: the stronger van der Waals interactions from the longer alkyl chains and the stronger electrostatic interactions from the smaller anions with a higher charge density increase the stability of both the crystal phase and the smectic phase; this also prevents the ionic layers from easily mixing with the hydrophobic regions, a mechanism that ultimately leads to a nanosegregated isotropic liquid phase.
2020
ISSN1744-683X
Volume16Issue:2Pages:411-420
Cooperation Status国际
Subject AreaChemistry ; Materials Science ; Physics ; Polymer Science
MOST Discipline CatalogueChemistry, Physical ; Materials Science, Multidisciplinary ; Physics, Multidisciplinary ; Polymer Science
DOI10.1039/c9sm02115a
Indexed BySCIE
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/27007
CollectionSCI期刊论文
Affiliation1.Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China
2.Univ Chinese Acad Sci, Sch Phys Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China
3.Senthilkumar, Beeran; Swamy, Vincent P.] CSIR Natl Chem Lab, Organ Chem Div, Dr Homi Bhabha Rd, Pune 411008, Maharashtra, India
4.CNR, Unit Padova, Inst Membrane Technol, Via Marzolo 1, I-35131 Padua, Italy
5.Univ Padua, Dept Chem Sci, Via Marzolo 1, I-35131 Padua, Italy
Recommended Citation
GB/T 7714
Cao, Wudi,Senthilkumar, Beeran,Causin, Valerio,et al. Influence of the ion size on the stability of the smectic phase of ionic liquid crystals[J]. SOFT MATTER,2020,16(2):411-420.
APA Cao, Wudi,Senthilkumar, Beeran,Causin, Valerio,Swamy, Vincent P.,Wang, Yanting,&Saielli, Giacomo.(2020).Influence of the ion size on the stability of the smectic phase of ionic liquid crystals.SOFT MATTER,16(2),411-420.
MLA Cao, Wudi,et al."Influence of the ion size on the stability of the smectic phase of ionic liquid crystals".SOFT MATTER 16.2(2020):411-420.
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