Liquid Crystal Ordering in the Hexagonal Phase of Rod-Coil Diblock Copolymers
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...
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| Format: | Article |
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MDPI AG
2020-05-01
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| Series: | Polymers |
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| Online Access: | https://www.mdpi.com/2073-4360/12/6/1262 |
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| author | Mikhail A. Osipov Maxim V. Gorkunov Alexander A. Antonov |
| author_facet | Mikhail A. Osipov Maxim V. Gorkunov Alexander A. Antonov |
| author_sort | Mikhail A. Osipov |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-03-10T19:28:12Z |
| format | Article |
| id | doaj.art-e04d3a324370499fa01999a8b2d20a7a |
| institution | Directory Open Access Journal |
| issn | 2073-4360 |
| language | English |
| last_indexed | 2024-03-10T19:28:12Z |
| publishDate | 2020-05-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Polymers |
| spelling | doaj.art-e04d3a324370499fa01999a8b2d20a7a2023-11-20T02:23:58ZengMDPI AGPolymers2073-43602020-05-01126126210.3390/polym12061262Liquid Crystal Ordering in the Hexagonal Phase of Rod-Coil Diblock CopolymersMikhail A. Osipov0Maxim V. Gorkunov1Alexander A. Antonov2Department of Mathematics and Statistics, University of Strathclyde, Glasgow G1 1XH, Scotland, UKShubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics“, Russian Academy of Sciences, 119333 Moscow, RussiaShubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics“, Russian Academy of Sciences, 119333 Moscow, RussiaDensity 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.https://www.mdpi.com/2073-4360/12/6/1262diblock copolymerdensity functionalhexagonal phase |
| spellingShingle | Mikhail A. Osipov Maxim V. Gorkunov Alexander A. Antonov Liquid Crystal Ordering in the Hexagonal Phase of Rod-Coil Diblock Copolymers Polymers diblock copolymer density functional hexagonal phase |
| title | Liquid Crystal Ordering in the Hexagonal Phase of Rod-Coil Diblock Copolymers |
| title_full | Liquid Crystal Ordering in the Hexagonal Phase of Rod-Coil Diblock Copolymers |
| title_fullStr | Liquid Crystal Ordering in the Hexagonal Phase of Rod-Coil Diblock Copolymers |
| title_full_unstemmed | Liquid Crystal Ordering in the Hexagonal Phase of Rod-Coil Diblock Copolymers |
| title_short | Liquid Crystal Ordering in the Hexagonal Phase of Rod-Coil Diblock Copolymers |
| title_sort | liquid crystal ordering in the hexagonal phase of rod coil diblock copolymers |
| topic | diblock copolymer density functional hexagonal phase |
| url | https://www.mdpi.com/2073-4360/12/6/1262 |
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