Dissipative particle dynamics simulation of quaternary bolaamphiphiles: multi-colour tiling in hexagonal columnar phases
Dissipative particle dynamics simulation of quaternary bolaamphiphiles: multi-colour tiling in hexagonal columnar phases
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DOI：
10.1039/b818926a
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发表时间：
2009-01-01
影响因子：
3.3
通讯作者：
Walker, Martin
中科院分区：
文献类型：
--
作者：
Bates, Martin A.;Walker, Martin
我们使用耗散粒子动力学模拟来研究x形四元亲水分子的相行为。这些分子由棒状核组成，两端有极性基团和两个不同的侧链。我们发现，对于三元亲水分子，可以观察到正方形和六边形柱状相。四嵌段体系中的微相偏析导致相邻柱中含有不同类型的链。对于方形柱状相，这不是问题。然而，对于六边形体系，这必然会导致挫败感，我们将讨论分子结构如何影响这种挫败感的缓解方式。
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.