Raman and IR spectroscopy of 8OCB (4-n-octyloxy-4′- cyanobiphenyl) liquid crystal molecule studied using density functional theorya

2021 ◽  
Vol 8 (4) ◽  



Polymers ◽  
2020 ◽  
Vol 12 (6) ◽  
pp. 1262
Author(s):  
Mikhail A. Osipov ◽  
Maxim V. Gorkunov ◽  
Alexander A. Antonov

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.



2009 ◽  
Vol 40 (6) ◽  
pp. 656-660 ◽  
Author(s):  
Hong Zhang ◽  
Xiaogang Li ◽  
Cuiwei Du ◽  
Huibin Qi ◽  
Yizhong Huang


2020 ◽  
Vol 21 (4) ◽  
pp. 556-564
Author(s):  
L. V. Udod ◽  
◽  
O. B. Romanova ◽  
S. S. Aplesnin ◽  
V. V. Kretinin ◽  
...  




1997 ◽  
Vol 119 (1) ◽  
pp. 261-268 ◽  
Author(s):  
Sergej V. Shilov ◽  
Holger Skupin ◽  
Friedrich Kremer ◽  
Tobias Wittig ◽  
Rudolf Zentel


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