Molecular theory of liquid-crystal ordering in rod-coil diblock copolymers

M. A. Osipov, M. V. Gorkunov

Research output: Contribution to journalArticle

Abstract

Molecular-statistical theory of rod-coil diblock copolymers is proposed using the general density functional approach which enables one to consider the cases of both weak and strong segregation. The free energy of the system is expressed as a functional of the phase-space densities of rod and coil monomers, which depend on the orientational and translational order parameters. Temperature-concentration phase diagrams are obtained and the profiles of all order parameters are calculated numerically by minimizing the polymer free energy. The lamellar phase is shown to possess strong orientational order which is partially induced by the phase structural anisotropy. The enhanced stability of the lamellar phase is determined by a combination of the microphase separation effects and the emergence of long-range smectic order.

LanguageEnglish
Article number042701
Number of pages12
JournalPhysical Review E
Volume100
Issue number4
DOIs
Publication statusPublished - 2 Oct 2019

Fingerprint

molecular theory
Copolymer
Coil
Liquid Crystal
copolymers
coils
rods
free energy
liquid crystals
Order Parameter
space density
Free Energy
Long-range Order
monomers
phase diagrams
Segregation
Density Functional
Phase Diagram
anisotropy
Anisotropy

Keywords

  • liquid-crystal
  • rod-coil diblock copolymer
  • molecular theory

Cite this

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Molecular theory of liquid-crystal ordering in rod-coil diblock copolymers. / Osipov, M. A.; Gorkunov, M. V.

In: Physical Review E, Vol. 100, No. 4, 042701, 02.10.2019.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Molecular theory of liquid-crystal ordering in rod-coil diblock copolymers

AU - Osipov, M. A.

AU - Gorkunov, M. V.

PY - 2019/10/2

Y1 - 2019/10/2

N2 - Molecular-statistical theory of rod-coil diblock copolymers is proposed using the general density functional approach which enables one to consider the cases of both weak and strong segregation. The free energy of the system is expressed as a functional of the phase-space densities of rod and coil monomers, which depend on the orientational and translational order parameters. Temperature-concentration phase diagrams are obtained and the profiles of all order parameters are calculated numerically by minimizing the polymer free energy. The lamellar phase is shown to possess strong orientational order which is partially induced by the phase structural anisotropy. The enhanced stability of the lamellar phase is determined by a combination of the microphase separation effects and the emergence of long-range smectic order.

AB - Molecular-statistical theory of rod-coil diblock copolymers is proposed using the general density functional approach which enables one to consider the cases of both weak and strong segregation. The free energy of the system is expressed as a functional of the phase-space densities of rod and coil monomers, which depend on the orientational and translational order parameters. Temperature-concentration phase diagrams are obtained and the profiles of all order parameters are calculated numerically by minimizing the polymer free energy. The lamellar phase is shown to possess strong orientational order which is partially induced by the phase structural anisotropy. The enhanced stability of the lamellar phase is determined by a combination of the microphase separation effects and the emergence of long-range smectic order.

KW - liquid-crystal

KW - rod-coil diblock copolymer

KW - molecular theory

U2 - 10.1103/PhysRevE.100.042701

DO - 10.1103/PhysRevE.100.042701

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JO - Physical Review E

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