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

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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.

Original languageEnglish
Pages (from-to)1969-1976
Number of pages8
JournalThe Journal of Chemical Thermodynamics
Volume43
Issue number12
DOIs
Publication statusPublished - Dec 2011

Fingerprint

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

Keywords

  • (Liquid + liquid) equilibrium
  • Chemical association model
  • Hyperbranched polymer solutions
  • Lattice-cluster theory
  • Method of calculation

ASJC Scopus subject areas

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

Cite this

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, Vol. 43, No. 12, 12.2011, p. 1969-1976.

Research output: Contribution to journalArticleResearchpeer-review

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