Calculation of the (liquid + liquid) equilibrium of solutions of hyperbranched polymers with the lattice-cluster theory combined with an association model

T. Zeiner, C. Browarzik, D. Browarzik, S. Enders

Publikation: Beitrag in einer FachzeitschriftArtikelForschungBegutachtung

Abstract

The (liquid + liquid) equilibrium of solutions of hyperbranched polyesters is calculated with the latticecluster theory (LCT) combined with a chemical association model. The considered solvents are n-alkanes as well as propan-1-ol and butan-1-ol. The structure of the solvents is also considered in the framework of the LCT, assuming the solvent molecules as linear chains of several segments. For polymer solutions with the non-associating n-alkanes only the self association of the hyperbranched polymer molecules has to be considered by the chemical association lattice model (CALM). For the solutions of the type alcohol + hyperbranched polymer additionally the cross association is taken into account by a modified version of the extended chemical association lattice model (ECALM). The association effects are proved to influence strongly the phase equilibrium. Calculating the cloud-point curve and the critical point the polydispersity of the polymer samples is neglected. There is a reasonable agreement of the calculated curves with the experimental data taken from the literature.

Originalspracheenglisch
Seiten (von - bis)1969-1976
Seitenumfang8
FachzeitschriftThe Journal of Chemical Thermodynamics
Jahrgang43
Ausgabenummer12
DOIs
PublikationsstatusVeröffentlicht - Dez 2011

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dendrimers
Polymers
Association reactions
alkanes
Liquids
liquids
Alkanes
polyesters
polymers
curves
Paraffins
molecules
critical point
alcohols
Molecules
Polyesters
Polydispersity
Polymer solutions
Phase equilibria
Alcohols

Schlagwörter

    ASJC Scopus subject areas

    • !!Physical and Theoretical Chemistry
    • !!Atomic and Molecular Physics, and Optics
    • !!Materials Science(all)

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    Calculation of the (liquid + liquid) equilibrium of solutions of hyperbranched polymers with the lattice-cluster theory combined with an association model. / Zeiner, T.; Browarzik, C.; Browarzik, D.; Enders, S.

    in: The Journal of Chemical Thermodynamics, Jahrgang 43, Nr. 12, 12.2011, S. 1969-1976.

    Publikation: Beitrag in einer FachzeitschriftArtikelForschungBegutachtung

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    AU - Enders, S.

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    AB - The (liquid + liquid) equilibrium of solutions of hyperbranched polyesters is calculated with the latticecluster theory (LCT) combined with a chemical association model. The considered solvents are n-alkanes as well as propan-1-ol and butan-1-ol. The structure of the solvents is also considered in the framework of the LCT, assuming the solvent molecules as linear chains of several segments. For polymer solutions with the non-associating n-alkanes only the self association of the hyperbranched polymer molecules has to be considered by the chemical association lattice model (CALM). For the solutions of the type alcohol + hyperbranched polymer additionally the cross association is taken into account by a modified version of the extended chemical association lattice model (ECALM). The association effects are proved to influence strongly the phase equilibrium. Calculating the cloud-point curve and the critical point the polydispersity of the polymer samples is neglected. There is a reasonable agreement of the calculated curves with the experimental data taken from the literature.

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    KW - Chemical association model

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    KW - Method of calculation

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