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Liquid-crystalline ordering in rod-coil diblock copolymers studied by mesoscale simulations


Author(s) : A AlSunaidi WK Den Otter JHR Clarke, AlSunaidi A Clarke JHR Den Otter WK, 
Publisher : ROYAL SOC LONDON
Publication Date : 2004
ISSN : N/A
Abstract : Using mesoscale dissipative particle dynamics (DPD) simulations, which ignore all atomistic details, we show the formation of lamella mesophases by cooling a fully disordered system composed of symmetric (A(7)B(7)) rod-coil diblock copolymers. Equilibration is achieved very rapidly using DPD, and isotropic, smectic A and crystalline phases of the rod-like blocks can be observed either by heating or cooling. An interesting pseudo-smectic phase can be characterized when the order-disorder transition temperature is above the clearing temperature. This phase gradually fades into a normal microphase-separated structure as the system is heated through the clearing temperature. Simulations of pure rods, however, show the formation of isotropic, nematic, smectic A and crystalline phases.,