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A theoretical approach to the thermochemistry of the polymerization of some derivatives of the monomers CH2X (X = CH2, NH, O)

✍ Scribed by Georges Leroy; Jean-Pierre Dewispelaere; Claude Wilante; Hanan Benkadour

Publisher: John Wiley and Sons
Year: 1997
Tongue: English
Weight: 481 KB
Volume: 6
Category: Article
ISSN: 1022-1344
DOI: 10.1002/mats.1997.040060404

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✦ Synopsis

Abstract

In this work, we have calculated the thermodynamic parameters of the polymerization of some derivatives of the species CH~2~X (X = CH~2~, NH, O), using ab initio methods of quantum chemistry and the usual formalism of statistical thermodynamics. It is shown that the Gibbs functions Δ__G__(l, c) corresponding to CH~2~NOCH~3~, CNCHNCN, CF~2~O and all the percyano derivatives are largely positive which indicates that the spontaneous (radical or ionic) chain polymerization of these monomers is thermodynamically prohibited.

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