Synthesis and theoretcial study of polyvinyl alcohol gel

The paper presents a method for synthesizing spherical granules of polyvinyl alcohol (PVA) gel, where the polar groups of which do not dissociate at high temperatures. The conditions and mechanism of the alkaline synthesis reaction of PVA gel from PVA and epichlorohydrin (EPC) are proposed. It is shown that alkaline synthesis of gel production occurs in stepwise. In addition, the composition and structure of the obtained gel are proven by modern physicochemical methods, such as IR spectroscopy, differential thermal and thermogravimetric methods. The result of thermogravimetric analysis showed that the mass loss of the PVA gel was 91.6%, which is consistent with the values given in the literature. Theoretical assessments of the structure of the synthesized PVA gel are also carried out using the ChemOffice, Gaussian and Priroda-04 software packages. The set of these software packages allowed to analyze the structure of organic and inorganic components of the synthesized gel at the molecular level and this makes it possible to predict the results and necessary calculations, with the help of which the obtained calculated results were subsequently compared with experimental data. Based on theoretical calculations, the dipole moment, the mean square value of energy, the energy of zero oscillations and some thermodynamic parameters were determined as specific heat capacity, molar volume, as well as such thermodynamic functions as enthalpy and entropy.

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