Simulation of the free energy of mixing for blend components in a new family of flexible polycyanurates
Hamerton, I, Howlin, BJ and Pratt, CR (2010) Simulation of the free energy of mixing for blend components in a new family of flexible polycyanurates Polymer, 51 (24). pp. 5857-5868.
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Microsoft_Word_-_Hamerton_Blend_Modelling-4.pdf - Accepted version Manuscript
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.
|Divisions :||Faculty of Engineering and Physical Sciences > Chemistry|
|Date :||12 November 2010|
|Identification Number :||https://doi.org/10.1016/j.polymer.2010.09.068|
|Depositing User :||Symplectic Elements|
|Date Deposited :||06 Oct 2011 12:46|
|Last Modified :||23 Sep 2013 18:45|
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