Fully Atomistic Simulations of the Ionic Liquid Crystal [C16mim][NO3]: Orientational Order Parameters and Voids Distribution

2016 ◽  
Vol 120 (9) ◽  
pp. 2569-2577 ◽  
Author(s):  
Giacomo Saielli
Keyword(s):  
Ionic Liquid ◽  
Liquid Crystal ◽  
Orientational Order ◽  
Order Parameters ◽  
Atomistic Simulations

scholarly journals Liquid Crystal Ordering in the Hexagonal Phase of Rod-Coil Diblock Copolymers

Polymers ◽  
2020 ◽  
Vol 12 (6) ◽  
pp. 1262
Author(s):  
Mikhail A. Osipov ◽  
Maxim V. Gorkunov ◽  
Alexander A. Antonov
Keyword(s):  
Liquid Crystal ◽  
Order Parameter ◽  
Density Functional ◽  
Diblock Copolymers ◽  
Microphase Separation ◽  
Hexagonal Phase ◽  
Orientational Order ◽  
Order Parameters ◽  
Copolymer Composition ◽  
Rigid Rod

Density functional theory of rod-coil diblock copolymers, developed recently by the authors, has been generalised and used to study the liquid crystal ordering and microphase separation effects in the hexagonal, lamellar and nematic phases. The translational order parameters of rod and coil monomers and the orientational order parameters of rod-like fragments of the copolymer chains have been determined numerically by direct minimization of the free energy. The phase diagram has been derived containing the isotropic, the lamellar and the hexagonal phases which is consistent with typical experimental data. The order parameter profiles as functions of temperature and the copolymer composition have also been determined in different anisotropic phases. Finally, the spatial distributions of the density of rigid rod fragments and of the corresponding orientational order parameter in the hexagonal phase have been calculated.

Scaling of 6n-Fold Bond-Orientational Order Parameters in a Hexatic Liquid-Crystal Thin Film

1996 ◽  
Vol 76 (24) ◽  
pp. 4556-4559 ◽  
Author(s):  
Chia-Fu Chou ◽  
John T. Ho ◽  
S. W. Hui ◽  
V. Surendranath
Keyword(s):  
Thin Film ◽  
Liquid Crystal ◽  
Orientational Order ◽  
Order Parameters ◽  
Bond Orientational Order

Infrared study of orientational order parameters of a ferroelectric liquid crystal

2004 ◽  
Vol 70 (4) ◽  
Author(s):  
M. D. Ossowska-Chruściel ◽  
R. Korlacki ◽  
A. Kocot ◽  
R. Wrzalik ◽  
J. Chruściel ◽  
...  
Keyword(s):  
Liquid Crystal ◽  
Orientational Order ◽  
Order Parameters ◽  
Ferroelectric Liquid Crystal ◽  
Infrared Study

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.

Protic ammonium bio-based ionic liquid crystal lubricants

2021 ◽  
Vol 158 ◽  
pp. 106917
Author(s):  
M.D. Avilés ◽  
R. Pamies ◽  
J. Sanes ◽  
J. Arias-Pardilla ◽  
F.J. Carrión ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Liquid Crystal

A chiral–racemic lyotropic chromonic liquid crystal system

Soft Matter ◽  
2021 ◽  
Author(s):  
Jordan K. Ando ◽  
Peter J. Collings
Keyword(s):  
Liquid Crystal ◽  
Optical Microscopy ◽  
Orientational Order ◽  
Molecular Assemblies ◽  
Polarized Optical Microscopy ◽  
Crystal System ◽  
System P ◽  
Liquid Crystal System

A lyotropic chromonic liquid crystal consists of oriented molecular assemblies in solution. If the molecules are chiral, the helical pattern of orientational order is revealed by the stripes seen with polarized optical microscopy.

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