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Title: Induced liquid-crystalline ordering in solutions of stiff and flexible amphiphilic macromolecules: Effect of mixture composition

Abstract

Impact of mixture composition on self-organization in concentrated solutions of stiff helical and flexible macromolecules was studied by means of molecular dynamics simulation. The macromolecules were composed of identical amphiphilic monomer units but a fraction f of macromolecules had stiff helical backbones and the remaining chains were flexible. In poor solvents the compacted flexible macromolecules coexist with bundles or filament clusters from few intertwined stiff helical macromolecules. The increase of relative content f of helical macromolecules leads to increase of the length of helical clusters, to alignment of clusters with each other, and then to liquid-crystalline-like ordering along a single direction. The formation of filament clusters causes segregation of helical and flexible macromolecules and the alignment of the filaments induces effective liquid-like ordering of flexible macromolecules. A visual analysis and calculation of order parameter relaying the anisotropy of diffraction allow concluding that transition from disordered to liquid-crystalline state proceeds sharply at relatively low content of stiff components.

Authors:
;  [1];  [1];  [2]
  1. A. N. Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences, Vavilova St. 28, 119991 Moscow (Russian Federation)
  2. (Russian Federation)
Publication Date:
OSTI Identifier:
22679012
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 145; Journal Issue: 4; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; FILAMENTS; MOLECULAR DYNAMICS METHOD; ORDER PARAMETERS

Citation Formats

Glagolev, Mikhail K., Vasilevskaya, Valentina V., E-mail: vvvas@polly.phys.msu.ru, Khokhlov, Alexei R., and Physics Department, Moscow State University, 119991 Moscow. Induced liquid-crystalline ordering in solutions of stiff and flexible amphiphilic macromolecules: Effect of mixture composition. United States: N. p., 2016. Web. doi:10.1063/1.4959861.
Glagolev, Mikhail K., Vasilevskaya, Valentina V., E-mail: vvvas@polly.phys.msu.ru, Khokhlov, Alexei R., & Physics Department, Moscow State University, 119991 Moscow. Induced liquid-crystalline ordering in solutions of stiff and flexible amphiphilic macromolecules: Effect of mixture composition. United States. doi:10.1063/1.4959861.
Glagolev, Mikhail K., Vasilevskaya, Valentina V., E-mail: vvvas@polly.phys.msu.ru, Khokhlov, Alexei R., and Physics Department, Moscow State University, 119991 Moscow. Thu . "Induced liquid-crystalline ordering in solutions of stiff and flexible amphiphilic macromolecules: Effect of mixture composition". United States. doi:10.1063/1.4959861.
@article{osti_22679012,
title = {Induced liquid-crystalline ordering in solutions of stiff and flexible amphiphilic macromolecules: Effect of mixture composition},
author = {Glagolev, Mikhail K. and Vasilevskaya, Valentina V., E-mail: vvvas@polly.phys.msu.ru and Khokhlov, Alexei R. and Physics Department, Moscow State University, 119991 Moscow},
abstractNote = {Impact of mixture composition on self-organization in concentrated solutions of stiff helical and flexible macromolecules was studied by means of molecular dynamics simulation. The macromolecules were composed of identical amphiphilic monomer units but a fraction f of macromolecules had stiff helical backbones and the remaining chains were flexible. In poor solvents the compacted flexible macromolecules coexist with bundles or filament clusters from few intertwined stiff helical macromolecules. The increase of relative content f of helical macromolecules leads to increase of the length of helical clusters, to alignment of clusters with each other, and then to liquid-crystalline-like ordering along a single direction. The formation of filament clusters causes segregation of helical and flexible macromolecules and the alignment of the filaments induces effective liquid-like ordering of flexible macromolecules. A visual analysis and calculation of order parameter relaying the anisotropy of diffraction allow concluding that transition from disordered to liquid-crystalline state proceeds sharply at relatively low content of stiff components.},
doi = {10.1063/1.4959861},
journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 4,
volume = 145,
place = {United States},
year = {2016},
month = {7}
}