A theoretical approach to the thermochemistry of the polymerization of some derivatives of the monomers CH2X (X = CH2, NH,O) |
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Authors: | Georges Leroy Jean-Pierre Dewispelaere Claude Wilante Hanan Benkadour |
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Abstract: | 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 ΔG(l, 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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