Role of the Electrostatic Interactions in the Stabilization of Ionic Liquid Crystals: Insights from Coarse-Grained MD Simulations of an Imidazolium Model

2016 ◽  
Vol 120 (34) ◽  
pp. 9152-9160 ◽  
Author(s):  
Giacomo Saielli ◽  
Yanting Wang
Keyword(s):  
Ionic Liquid ◽  
Liquid Crystals ◽  
Electrostatic Interactions ◽  
Md Simulations ◽  
Coarse Grained ◽  
Ionic Liquid Crystals

scholarly journals The role of counterions in ionic liquid crystals

2021 ◽  
Vol 154 (1) ◽  
pp. 014901
Author(s):  
Hendrik Bartsch ◽  
Markus Bier ◽  
S. Dietrich
Keyword(s):  
Ionic Liquid ◽  
Liquid Crystals ◽  
Ionic Liquid Crystals

The effect of hydration on the stability of Ionic Liquid Crystals: MD simulations of [C14C1im]Cl and [C14C1im]Cl·H2O

2021 ◽  
Author(s):  
Giacomo Saielli
Keyword(s):  
Ionic Liquid ◽  
Liquid Crystals ◽  
Md Simulations ◽  
Structural Features ◽  
Thermal Range ◽  
Ionic Liquid Crystals ◽  
The Stability

The thermal range of stability of Ionic Liquid Crystals (ILC) phases of imidazolium ILCs, and the type of mesophase itself, are affected by several molecular structural features, the two prominent...

Critical Role of the Spacer Length of Gemini Surfactants on the Formation of Ionic Liquid Crystals and Thermotropic Behavior

2017 ◽  
Vol 121 (46) ◽  
pp. 10583-10592 ◽  
Author(s):  
Ricardo M. F. Fernandes ◽  
Yujie Wang ◽  
Pedro B. Tavares ◽  
Sandra C. C. Nunes ◽  
Alberto A. C. C. Pais ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Liquid Crystals ◽  
Gemini Surfactants ◽  
Critical Role ◽  
Spacer Length ◽  
Ionic Liquid Crystals

Coarse-Grained Simulations of Ionic Liquid Materials: From Monomeric Ionic Liquids to Ionic Liquid Crystals and Polymeric Ionic Liquids

2021 ◽  
Author(s):  
Yonglei Wang ◽  
Bin Li ◽  
Aatto Laaksonen
Keyword(s):  
Ionic Liquid ◽  
Ionic Liquids ◽  
Liquid Crystals ◽  
Physicochemical Properties ◽  
Coarse Grained ◽  
Environmental Applications ◽  
Polymeric Ionic Liquids ◽  
Heterogeneous Structures ◽  
Ionic Liquid Crystals ◽  
Coarse Grained Simulations

Ionic liquid (IL) materials are promising electrolytes with striking physicochemical properties for energy and environmental applications. Heterogeneous structures and transport quantities of monomeric and polymeric ILs are intrinsically intercorrelated and...

scholarly journals Ion conformation and orientational order in a dicationic ionic liquid crystal studied by solid-state nuclear magnetic resonance spectroscopy

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Debashis Majhi ◽  
Sergey V. Dvinskikh
Keyword(s):  
Ionic Liquid ◽  
Ionic Liquids ◽  
Liquid Crystals ◽  
Bond Order ◽  
Van Der Waals ◽  
Orientational Order ◽  
Smectic Phase ◽  
Side Chains ◽  
Dicationic Ionic Liquid ◽  
Ionic Liquid Crystals

AbstractIonic liquids crystals belong to a special class of ionic liquids that exhibit thermotropic liquid-crystalline behavior. Recently, dicationic ionic liquid crystals have been reported with a cation containing two single-charged ions covalently linked by a spacer. In ionic liquid crystals, electrostatic and hydrogen bonding interactions in ionic sublayer and van der Waals interaction in hydrophobic domains are the main forces contributing to the mesophase stabilization and determining the molecular orientational order and conformation. How these properties in dicationic materials are compared to those in conventional monocationic analogs? We address this question using a combination of advanced NMR methods and DFT analysis. Dicationic salt 3,3′-(1,6-hexanediyl)bis(1-dodecylimidazolium)dibromide was studied. Local bond order parameters of flexible alkyl side chains, linker chain, and alignment of rigid polar groups were analyzed. The dynamic spacer effectively “decouples” the motion of two ionic moieties. Hence, local order and alignment in dicationic mesophase were similar to those in analogous single-chain monocationic salts. Bond order parameters in the side chains in the dicationic smectic phase were found consistently lower compared to double-chain monocationic analogs, suggesting decreasing contribution of van der Waals forces. Overall dication reorientation in the smectic phase was characterized by low values of orientational order parameter S. With increased interaction energy in the polar domain the layered structure is stabilized despite less ordered dications. The results emphasized the trends in the orientational order in ionic liquid crystals and contributed to a better understanding of interparticle interactions driving smectic assembly in this and analogous ionic mesogens.

Molecular dynamics and electrical conductivity of Guanidinium based ionic liquid crystals: Influence of cation headgroup configuration

2021 ◽  
Vol 330 ◽  
pp. 115666
Author(s):  
Mohamed A. Kolmangadi ◽  
Arda Yildirim ◽  
Kathrin Sentker ◽  
Martin Butschies ◽  
Andrea Bühlmeyer ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electrical Conductivity ◽  
Ionic Liquid ◽  
Liquid Crystals ◽  
Ionic Liquid Crystals

Liquid-crystalline behaviour and electrorheological effect of phthalocyanine-based ionic liquid crystals

2020 ◽  
pp. 1-10
Author(s):  
Aikebaier Reheman ◽  
Shuangying Hu ◽  
Lianjun Cao ◽  
Danhua Xie ◽  
Guiyang Yan ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Liquid Crystals ◽  
Liquid Crystalline ◽  
Electrorheological Effect ◽  
Ionic Liquid Crystals
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