6533b871fe1ef96bd12d24b4

RESEARCH PRODUCT

Single-chain conformations in symmetric binary polymer blends: Quantitative comparison between self-consistent field calculations and Monte Carlo simulations

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Single-chain properties in a symmetric binary polymer blend are studied by self-consistent field calculations and Monte Carlo simulations. Within the self-consistent field scheme, the statistical mechanics of a cluster of neighboring polymers is solved. Interactions among the polymers of a cluster and composition fluctuations within a cluster are incorporated exactly, a mean field approximation is invoked for intercluster interactions and long-range fluctuations. The results are compared to large scale Monte Carlo simulations for a broad range of chain lengths. While we find nearly quantitative agreement for single chain propertiese.g., the reduction of the chain dimensions of the minority componentonly qualitative agreement is achieved for thermodynamic quantitiese.g., the critical temperature. The temperature and composition dependence of the chain conformations are attributed to a balance between the entropy loss upon contraction and the exchange of intermolecular and intramolecular contacts. The calcu...