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 p olymerization 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 De lta 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.