Influence of the ion size on the stability of the smectic phase of ionic liquid crystals

doi:10.1039/c9sm02115a

CORC > 理论物理研究所 > 中国科学院理论物理研究所 > 理论物理所科研产出 > 理论物理所1978-2010年知识产出

	Influence of the ion size on the stability of the smectic phase of ionic liquid crystals
	Cao, Wudi 3; Senthilkumar, Beeran ; Causin, Valerio 5; Swamy, Vincent P.; Wang, Yanting 3; Saielli, Giacomo 1,5
刊名	SOFT MATTER
	2020
卷号	16 期号:2 页码:411-420
关键词	MOLECULAR-DYNAMICS SIMULATIONS SPATIAL HETEROGENEITY THERMAL-BEHAVIOR CHAIN-LENGTH GUANIDINIUM TRANSITION AGGREGATION TRANSPORT INSIGHTS STATE
ISSN号	1744-683X
DOI	10.1039/c9sm02115a
英文摘要	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.
学科主题	Chemistry ; Materials Science ; Physics ; Polymer Science
语种	英语
内容类型	期刊论文
源URL	[http://ir.itp.ac.cn/handle/311006/27007]
专题	理论物理研究所_理论物理所1978-2010年知识产出
作者单位	1.CNR, Unit Padova, Inst Membrane Technol, Via Marzolo 1, I-35131 Padua, Italy 2.Univ Padua, Dept Chem Sci, Via Marzolo 1, I-35131 Padua, Italy 3.Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China 4.Univ Chinese Acad Sci, Sch Phys Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China 5.Senthilkumar, Beeran; Swamy, Vincent P.] CSIR Natl Chem Lab, Organ Chem Div, Dr Homi Bhabha Rd, Pune 411008, Maharashtra, India
推荐引用方式 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.