Dissipative particle dynamics simulation of quaternary bolaamphiphiles: multi-colour tiling in hexagonal columnar phases

Martin A. Bates; Martin Walker

doi:10.1039/b818926a

Dissipative particle dynamics simulation of quaternary bolaamphiphiles: multi-colour tiling in hexagonal columnar phases

Martin A. Bates, Martin Walker

Chemistry

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

Abstract

We use dissipative particle dynamics simulations to examine the phase behaviour of X-shaped quaternary bolaamphiphiles. These molecules are composed of a rod-shaped core, with polar groups at each end and two different lateral chains. We show that, as for ternary bolaamphiphiles, square and hexagonal columnar phases are observed. The micro-phase segregation in the four-block systems leads to neighbouring columns containing different types of chain. For a square columnar phase, this does not present a problem. For hexagonal systems, however, this necessarily leads to frustration, and we discuss how the molecular structure can influence the way this frustration is relieved.

Original language	English
Pages (from-to)	1893-1900
Number of pages	8
Journal	Physical Chemistry Chemical Physics
Volume	11
Issue number	12
DOIs	https://doi.org/10.1039/b818926a
Publication status	Published - 2009

Keywords

LIQUID-CRYSTALLINE PHASES
CALAMITIC BOLAAMPHIPHILES
LAYERLIKE ORGANIZATION
BLOCK MOLECULES

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10.1039/b818926a

http://pubs.rsc.org/en/Content/ArticleLanding/2009/CP/b818926a

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title = "Dissipative particle dynamics simulation of quaternary bolaamphiphiles: multi-colour tiling in hexagonal columnar phases",

abstract = "We use dissipative particle dynamics simulations to examine the phase behaviour of X-shaped quaternary bolaamphiphiles. These molecules are composed of a rod-shaped core, with polar groups at each end and two different lateral chains. We show that, as for ternary bolaamphiphiles, square and hexagonal columnar phases are observed. The micro-phase segregation in the four-block systems leads to neighbouring columns containing different types of chain. For a square columnar phase, this does not present a problem. For hexagonal systems, however, this necessarily leads to frustration, and we discuss how the molecular structure can influence the way this frustration is relieved.",

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AB - We use dissipative particle dynamics simulations to examine the phase behaviour of X-shaped quaternary bolaamphiphiles. These molecules are composed of a rod-shaped core, with polar groups at each end and two different lateral chains. We show that, as for ternary bolaamphiphiles, square and hexagonal columnar phases are observed. The micro-phase segregation in the four-block systems leads to neighbouring columns containing different types of chain. For a square columnar phase, this does not present a problem. For hexagonal systems, however, this necessarily leads to frustration, and we discuss how the molecular structure can influence the way this frustration is relieved.

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KW - CALAMITIC BOLAAMPHIPHILES

KW - LAYERLIKE ORGANIZATION

KW - BLOCK MOLECULES

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JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

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ER -

Dissipative particle dynamics simulation of quaternary bolaamphiphiles: multi-colour tiling in hexagonal columnar phases

Abstract

Keywords

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