A theoretical approach to the thermochemistry of the polymerization of some derivatives of the monomers CH2=X (X=CH2, NH, O)
(1997) Macromolecular Theory and Simulations — Vol. 6, n° 4, p. 729-739 (1997)
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- In this work, we have calculated the thermodynamic parameters of the polymerization of some derivatives of the species CH2=X (X=CH2, NH, O), using ab initio methods of quantum chemistry and the usual formalism of statistical thermodynamics. It is shown that the Gibbs functions Delta G(p)(o)(1, c) corresponding to CH2=NOCH3, CNCH=NCN, CF2=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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Leroy, G., Dewispelaere, JP., Wilante, C., & Benkadour, H. (1997). A theoretical approach to the thermochemistry of the polymerization of some derivatives of the monomers CH2=X (X=CH2, NH, O). Macromolecular Theory and Simulations, 6(4), 729-739. https://doi.org/10.1002/mats.1997.040060404 (Original work published 1997)