Mesophase transition induced by oscillatory shear in imidazolium-based ionic liquid crystals on molecular-dynamics simulations

2021 ◽  
Author(s):  
Min Liu ◽  
Hayato Shiba ◽  
Huashan Liu ◽  
Hailong Peng
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Liquid Crystal ◽  
Liquid Crystals ◽  
Molecular Dynamics Simulations ◽  
Oscillatory Shear ◽  
Ionic Liquid Crystals ◽  
Dynamics Simulations

Molecular dynamics simulations were performed on a 1-dodecyl-3-methylimidazolium hexafluorophosphate ([C$_{12}$mim][PF$_6$]) ionic liquid crystal (ILC) with an oscillatory shear. We found the oscillatory shear can both accelerate and suppress the mesophase...

A combined LX-NMR and molecular dynamics investigation of the bulk and local structure of ionic liquid crystals

Soft Matter ◽  
2019 ◽  
Vol 15 (22) ◽  
pp. 4486-4497 ◽  
Author(s):  
Maria Enrica Di Pietro ◽  
Tommaso Margola ◽  
Giorgio Celebre ◽  
Giuseppina De Luca ◽  
Giacomo Saielli
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Liquid Crystals ◽  
Nmr Spectroscopy ◽  
Molecular Dynamics Simulations ◽  
Local Structure ◽  
Structural Information ◽  
Ionic Liquid Crystals ◽  
Dynamics Simulations ◽  
Unique Power

The unique power of NMR spectroscopy in anisotropic media (LX-NMR) as a tool to obtain local and bulk structural information, combined with the effectiveness of molecular dynamics simulations at the atomistic level, shows very attractive potentialities for the study of Ionic Liquid Crystals.

Molecular dynamics of dilute binary chromonic liquid crystal mixtures

2017 ◽  
Vol 2 (3) ◽  
pp. 223-234 ◽  
Author(s):  
Oscar M. Matus Rivas ◽  
Alejandro D. Rey
Keyword(s):  
Molecular Dynamics ◽  
Liquid Crystal ◽  
Liquid Crystals ◽  
Molecular Dynamics Simulations ◽  
Binary Mixtures ◽  
Spontaneous Aggregation ◽  
Dynamics Simulations

The spontaneous aggregation of binary mixtures of lyotropic chromonic liquid crystals (LCLCs) was investigated using atomistic molecular dynamics simulations.

scholarly journals An insight into de Vries behaviour of smectic liquid crystals from atomistic molecular dynamics simulations

2020 ◽  
Vol 8 (37) ◽  
pp. 13040-13052
Author(s):  
Kristian Poll ◽  
Mark T. Sims
Keyword(s):  
Molecular Dynamics ◽  
Liquid Crystal ◽  
Liquid Crystals ◽  
Molecular Dynamics Simulations ◽  
Smectic Liquid Crystals ◽  
Ferroelectric Liquid Crystal ◽  
De Vries ◽  
Dynamics Simulations ◽  
Insight Into

Atomistic molecular dynamics simulations of the ferroelectric liquid crystal 9HL replicate the experimentally observed de Vries behaviour, which is shown to arise due to differing tilting characteristics of molecular sub-units.

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
Sign in / Sign up

Export Citation Format

Share Document