Simulation and Model Development for the Equation of State of Self-Assembling Nonadditive Hard Chains (original) (raw)

Abstract

Molecular dynamics simulations for short hard chains interacting with nonadditive size interactions were performed. Different densities and nonadditivities were used. Microphase separation was observed at high density and positive nonadditivity for diblock copolymers but not for alternating copolymers. The equation of state for these chains was also investigated, and a model was developed to predict the compressibility factor.

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