【摘 要】
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We propose a density-functional theory describing inhomogeneous random copolymer-carbon dioxide(CO2)mixtures based on a perturbed-chain statistical associating fluid theory equation of state.The stati
【机 构】
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Center for Soft Condensed Matter Physics and Interdisciplinary Research,Soochow University,Suzhou 21
【出 处】
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The 11th International Symposium on Polymer Physics(PP2014)(
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We propose a density-functional theory describing inhomogeneous random copolymer-carbon dioxide(CO2)mixtures based on a perturbed-chain statistical associating fluid theory equation of state.The statistical sequence of the monomer in the copolymer backbone is described by a matrix of transition probabilities in a Markov-step growth process under realistic synthetic condition,giving a simple but useful expression for the excess Helmholtz free energy.The parameters of our model are accurately determined by fitting the experimental data.We apply our DFT to the interfacial properties of poly(methyl methacrylate –co– ethyl methacrylate)(P(MMA-co-EMA)),poly(methyl methacrylate –co– ethyl acrylate)(P(MMA-co-EA)and poly(styrene –co– ethyl acrylate)(P(S-co-EA))and CO2 systems.Calculated values for both solubility and interfacial tension are in good agreement with available experimental data.Our theory allows a unified treatment of bulk phase behavior and interfacial properties of copolymer and CO2 mixtures.
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