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.