A Simple Field-Theoretic Simulation Method for Compressible Block Copolymer Systems

Abstract

A simple field-theoretic simulation method based on a compressible random-phase approximation (RPA) theory has been suggested to understand the self-assembly behavior and its pressure responses of compressible block copolymer systems. Finite compressibility is incorporated in the free energy functional for the dissipative dynamics through effective RPA interactions that account for the excluded volume and the attractive nonbonded interactions. It was shown that basic equation-of-state parameters completely characterizing given block components readily yield stable and metastable morphologies without any presumed symmetry over a wide range of temperature−pressure−composition space for copolymer melts in unconfined or confined geometry. It was demonstrated that the simulation tool is capable of predicting in a unified way block copolymer phase behavior, not only exhibiting nanoscale ordering either upon cooling or reversely upon heating, but also revealing barotropicity and baroplasticity.

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