ON THE POSSIBILITIES OF THEORETICAL-ANALYSIS OF KINETICS OF THE THERMAL-DECOMPOSITION OF SOLIDS

The main reasons for changes in the environment surrounding us are dis cussed on the basis of thermodynamics of irreversible processes. Subse quently, relations between thermodynamics of irreversible processes an d chemical kinetics are shown, then the possibilities of theoretical d etermination of Tate constants on the framework of the modified RRKM t heory are presented. These latter considerations are supplemented by a discussion concerning the possibilities of determining the activation barriers and structural changes (necessary to account for entropy cha nges upon reaction) in molecules kept on the surface of crystalline ph ases by combination of quantum chemistry methods for isolated molecule s with those reflecting the influence of the environment(i.e. interact ion within the lattice). Finally, the future of theoretical methods in examining the reactivity of solid state systems is briefly discussed.