Simulation of the free energy of mixing for blend components in a new family of flexible polycyanurates

Ian Hamerton*, Brendan J. Howlin, C. Robert Pratt

*Corresponding author for this work

Research output: Contribution to journalArticle (Academic Journal)peer-review

4 Citations (Scopus)

Abstract

The miscibility of the dicyanate of bisphenol A, with three dicyanate monomers, with aryl/alkylene ether backbones is studied at different compositions of a binary blend. Solubility parameters are calculated for dicyanate monomers and selected oligomers using the methods of Small and Fedors to predict compatibility. The results are evaluated in terms of the accuracy of the model in reproducing observed data. Gibbs free energy of mixing (ΔGmix) values for selected blends are calculated using the BLENDS module of Cerius2. Empirical data (HPLC and MS) are used to inform the construction of selected models to represent different stages of polymer conversion. DMTA analysis is performed to examine the thermo-mechanical properties of the resulting blends and compared with the simulated blend data.

Original languageEnglish
Pages (from-to)5857-5868
Number of pages12
JournalPolymer
Volume51
Issue number24
DOIs
Publication statusPublished - 12 Nov 2010

Keywords

  • Blends
  • Cyanate esters
  • Polycyanurates

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