Optimized cluster theory of structurally symmetric polymer blends
| Autor: | J. G. Curro, J. Melenkevitz |
|---|---|
| Rok vydání: | 1997 |
| Předmět: |
chemistry.chemical_classification
Physics General Physics and Astronomy Thermodynamics Polymer Molecular systems Flory–Huggins solution theory Neutron scattering Integral equation symbols.namesake chemistry Computational chemistry Pair correlation Helmholtz free energy symbols Polymer blend Physical and Theoretical Chemistry |
| Zdroj: | The Journal of Chemical Physics. 106:8221-8231 |
| ISSN: | 1089-7690 0021-9606 |
| Popis: | The thermodynamic properties of model structurally symmetric polymer blends were calculated using a recently developed theory that is a generalization of the optimized cluster theories for atomic mixtures and single component molecular systems. Within this approach, cluster expansions for the Helmholtz free energy and pair correlation functions were developed for a mixture of polymer chains modeled using the interaction site formalism. A series of topological reductions was then performed to render an approximate expression for these quantities. The theory was previously shown to be equivalent to a set of diagrammatically proper integral equations. The critical temperature was determined to scale linearly with chain length in agreement with neutron scattering measurements and computer simulations. The critical temperature was also found to be suppressed with respect to the mean-field value due to composition fluctuations. The effective interaction parameter, χs, at the critical composition was well repres... |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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