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

Literature Information

Publication Date 2009-02-23
DOI 10.1039/B818926A
Impact Factor 3.676
Authors

Martin A. Bates, Martin Walker


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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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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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