Calculation of the liquid-liquid equilibrium of aqueous solutions of hyperbranched polymers

T. Zeiner, D. Browarzik, S. Enders

Publikation: Beitrag in einer FachzeitschriftArtikelForschungBegutachtung

Abstract

The liquid-liquid equilibrium of aqueous solutions of hyperbranched polyesters of generation 2, 3 and 4 is described by the lattice-cluster theory. The gist of this approach is the incorporation of the architecture of the polymer directly into the thermodynamic quantities, like Gibbs energy of mixing. The very important geometric parameters describing the polymer architecture are calculated in a new way that seems to be more realistic than older ones. The phase-equilibrium calculations include the binodal curve, the spinodal curve and the critical point neglecting the polydispersity of the polymer samples. Without any additional adjustable parameter these corrections lead to a shift of the cloud-point curve towards higher polymer concentration, as observed in experiments. However, the agreement of the calculated and the experimental values is not quantitative. A possible reason for that may be the disregarding of association effects.

Originalspracheenglisch
Seiten (von - bis)127-133
Seitenumfang7
FachzeitschriftFluid phase equilibria
Jahrgang286
Ausgabenummer2
DOIs
PublikationsstatusVeröffentlicht - 15 Dez 2009

Fingerprint

dendrimers
Polymers
aqueous solutions
polymers
Liquids
curves
liquids
high polymers
polyesters
Polyesters
critical point
Polydispersity
Gibbs free energy
Phase equilibria
thermodynamics
shift
Association reactions
Thermodynamics
energy
Experiments

Schlagwörter

    ASJC Scopus subject areas

    • !!Chemical Engineering(all)
    • !!Physical and Theoretical Chemistry
    • !!Physics and Astronomy(all)

    Dies zitieren

    Calculation of the liquid-liquid equilibrium of aqueous solutions of hyperbranched polymers. / Zeiner, T.; Browarzik, D.; Enders, S.

    in: Fluid phase equilibria, Jahrgang 286, Nr. 2, 15.12.2009, S. 127-133.

    Publikation: Beitrag in einer FachzeitschriftArtikelForschungBegutachtung

    @article{5dd96b0036ae481aa115efd6eea6ed4a,
    title = "Calculation of the liquid-liquid equilibrium of aqueous solutions of hyperbranched polymers",
    abstract = "The liquid-liquid equilibrium of aqueous solutions of hyperbranched polyesters of generation 2, 3 and 4 is described by the lattice-cluster theory. The gist of this approach is the incorporation of the architecture of the polymer directly into the thermodynamic quantities, like Gibbs energy of mixing. The very important geometric parameters describing the polymer architecture are calculated in a new way that seems to be more realistic than older ones. The phase-equilibrium calculations include the binodal curve, the spinodal curve and the critical point neglecting the polydispersity of the polymer samples. Without any additional adjustable parameter these corrections lead to a shift of the cloud-point curve towards higher polymer concentration, as observed in experiments. However, the agreement of the calculated and the experimental values is not quantitative. A possible reason for that may be the disregarding of association effects.",
    keywords = "Aqueous hyperbranched polymer solutions, Lattice-cluster theory, Liquid-liquid equilibrium, Method of calculation, Spinodal curve",
    author = "T. Zeiner and D. Browarzik and S. Enders",
    year = "2009",
    month = "12",
    day = "15",
    doi = "10.1016/j.fluid.2009.08.013",
    language = "English",
    volume = "286",
    pages = "127--133",
    journal = "Fluid phase equilibria",
    issn = "0378-3812",
    publisher = "Elsevier B.V.",
    number = "2",

    }

    TY - JOUR

    T1 - Calculation of the liquid-liquid equilibrium of aqueous solutions of hyperbranched polymers

    AU - Zeiner, T.

    AU - Browarzik, D.

    AU - Enders, S.

    PY - 2009/12/15

    Y1 - 2009/12/15

    N2 - The liquid-liquid equilibrium of aqueous solutions of hyperbranched polyesters of generation 2, 3 and 4 is described by the lattice-cluster theory. The gist of this approach is the incorporation of the architecture of the polymer directly into the thermodynamic quantities, like Gibbs energy of mixing. The very important geometric parameters describing the polymer architecture are calculated in a new way that seems to be more realistic than older ones. The phase-equilibrium calculations include the binodal curve, the spinodal curve and the critical point neglecting the polydispersity of the polymer samples. Without any additional adjustable parameter these corrections lead to a shift of the cloud-point curve towards higher polymer concentration, as observed in experiments. However, the agreement of the calculated and the experimental values is not quantitative. A possible reason for that may be the disregarding of association effects.

    AB - The liquid-liquid equilibrium of aqueous solutions of hyperbranched polyesters of generation 2, 3 and 4 is described by the lattice-cluster theory. The gist of this approach is the incorporation of the architecture of the polymer directly into the thermodynamic quantities, like Gibbs energy of mixing. The very important geometric parameters describing the polymer architecture are calculated in a new way that seems to be more realistic than older ones. The phase-equilibrium calculations include the binodal curve, the spinodal curve and the critical point neglecting the polydispersity of the polymer samples. Without any additional adjustable parameter these corrections lead to a shift of the cloud-point curve towards higher polymer concentration, as observed in experiments. However, the agreement of the calculated and the experimental values is not quantitative. A possible reason for that may be the disregarding of association effects.

    KW - Aqueous hyperbranched polymer solutions

    KW - Lattice-cluster theory

    KW - Liquid-liquid equilibrium

    KW - Method of calculation

    KW - Spinodal curve

    UR - http://www.scopus.com/inward/record.url?scp=70350335320&partnerID=8YFLogxK

    U2 - 10.1016/j.fluid.2009.08.013

    DO - 10.1016/j.fluid.2009.08.013

    M3 - Article

    VL - 286

    SP - 127

    EP - 133

    JO - Fluid phase equilibria

    JF - Fluid phase equilibria

    SN - 0378-3812

    IS - 2

    ER -