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

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