Computer Simulation of the Pentagonal Columnar Phase of Liquid Crystalline Bolaamphiphiles

Martin A. Bates; Martin Walker

doi:10.1080/15421401003799797

Computer Simulation of the Pentagonal Columnar Phase of Liquid Crystalline Bolaamphiphiles

Martin A. Bates, Martin Walker

Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

We use dissipative particle dynamics (DPD) simulations to explore the nature of triblock liquid crystalline bolaamphiphiles. We show that the simulations can reproduce the relationships, previously established experimentally, between the molecular dimensions and the phase behaviour. In contrast to other recent simulation studies of bolaamphiphiles, we observe a columnar phase with a pentagonal cross section.

Original language	English
Pages (from-to)	204-211
Number of pages	8
Journal	Molecular Crystals and Liquid Crystals
Volume	525
DOIs	https://doi.org/10.1080/15421401003799797
Publication status	Published - 2010

Keywords

Bolaamphiphiles
columnar liquid crystals
computer simulation
dissipative particle dynamics
pentagonal tiling
DYNAMICS SIMULATION
MOLECULES

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10.1080/15421401003799797

http://www.tandfonline.com/doi/abs/10.1080/15421401003799797

Cite this

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abstract = "We use dissipative particle dynamics (DPD) simulations to explore the nature of triblock liquid crystalline bolaamphiphiles. We show that the simulations can reproduce the relationships, previously established experimentally, between the molecular dimensions and the phase behaviour. In contrast to other recent simulation studies of bolaamphiphiles, we observe a columnar phase with a pentagonal cross section.",

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AB - We use dissipative particle dynamics (DPD) simulations to explore the nature of triblock liquid crystalline bolaamphiphiles. We show that the simulations can reproduce the relationships, previously established experimentally, between the molecular dimensions and the phase behaviour. In contrast to other recent simulation studies of bolaamphiphiles, we observe a columnar phase with a pentagonal cross section.

KW - Bolaamphiphiles

KW - columnar liquid crystals

KW - computer simulation

KW - dissipative particle dynamics

KW - pentagonal tiling

KW - DYNAMICS SIMULATION

KW - MOLECULES

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M3 - Article

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EP - 211

JO - Molecular Crystals and Liquid Crystals

JF - Molecular Crystals and Liquid Crystals

ER -

Computer Simulation of the Pentagonal Columnar Phase of Liquid Crystalline Bolaamphiphiles

Abstract

Keywords

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