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

doi:10.1016/j.polymer.2010.09.068

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 journal › Article (Academic Journal) › peer-review

6 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 (ΔG_mix) 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 language	English
Pages (from-to)	5857-5868
Number of pages	12
Journal	Polymer
Volume	51
Issue number	24
DOIs	https://doi.org/10.1016/j.polymer.2010.09.068
Publication status	Published - 12 Nov 2010

Keywords

Blends
Cyanate esters
Polycyanurates

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title = "Simulation of the free energy of mixing for blend components in a new family of flexible polycyanurates",

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.",

keywords = "Blends, Cyanate esters, Polycyanurates",

author = "Ian Hamerton and Howlin, {Brendan J.} and Pratt, {C. Robert}",

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doi = "10.1016/j.polymer.2010.09.068",

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TY - JOUR

T1 - Simulation of the free energy of mixing for blend components in a new family of flexible polycyanurates

AU - Hamerton, Ian

AU - Howlin, Brendan J.

AU - Pratt, C. Robert

PY - 2010/11/12

Y1 - 2010/11/12

N2 - 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.

AB - 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.

KW - Blends

KW - Cyanate esters

KW - Polycyanurates

UR - http://www.scopus.com/inward/record.url?scp=78149415210&partnerID=8YFLogxK

U2 - 10.1016/j.polymer.2010.09.068

DO - 10.1016/j.polymer.2010.09.068

M3 - Article (Academic Journal)

AN - SCOPUS:78149415210

SN - 0032-3861

VL - 51

SP - 5857

EP - 5868

JO - Polymer

JF - Polymer

IS - 24

ER -

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

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