Knowledge Management System of Institute of Theoretical Physics, CAS
Cao, Wudi1; Senthilkumar, Beeran; Causin, Valerio3; Swamy, Vincent P.; Wang, Yanting1 ; Saielli, Giacomo3,4
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| Influence of the ion size on the stability of the smectic phase of ionic liquid crystals | |
| Source Publication | SOFT MATTER
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| Language | 英语 |
| Keyword | MOLECULAR-DYNAMICS SIMULATIONS SPATIAL HETEROGENEITY THERMAL-BEHAVIOR CHAIN-LENGTH GUANIDINIUM TRANSITION AGGREGATION TRANSPORT INSIGHTS STATE |
| Abstract | The 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 | |
| ISSN | 1744-683X |
| Volume | 16Issue:2Pages:411-420 |
| Cooperation Status | 国际 |
| Subject Area | Chemistry ; Materials Science ; Physics ; Polymer Science |
| MOST Discipline Catalogue | Chemistry, Physical ; Materials Science, Multidisciplinary ; Physics, Multidisciplinary ; Polymer Science |
| DOI | 10.1039/c9sm02115a |
| Indexed By | SCIE |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.itp.ac.cn/handle/311006/27007 |
| Collection | SCI期刊论文 |
| Affiliation | 1.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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