Marsagishvili, TamaziTamaziMarsagishviliმარსაგიშვილი, თამაზითამაზიმარსაგიშვილიMatchavariani, MarineMarineMatchavarianiმაჭავარიანი, მარინემარინემაჭავარიანიTatishvili, G.G.Tatishviliტატიშვილი, გ.გ.ტატიშვილიTskhakaia, E.E.Tskhakaiaცხაკაია, ე.ე.ცხაკაია2025-03-252025-03-252014http://www.bcc.bas.bg/bcc_volumes/Volume_46_Number_2_2014/BCC-46-2-423-430-Tamaz-corr.pdfhttps://openscience.ge/handle/1/8420The quantum calculation of the free energy of polyatomic dipole-active polarizable particles revealed two mechanisms of free energy change during interaction with a polar medium (solvation and fluctuation mechanisms). For charged particles the main contribution to complete free energy change is given by the solvation mechanism. Correspondingly, for simple charged particles in homogeneous isotropic polar medium without spatial dispersion this brings to Born free energy of solvation. For uncharged particles with equilibrium dipole moment, solvation mechanism also contributes to the change in system’s free energy, and this contribution for spherical particles is in direct proportion to the quadratic dipole moment of the particle and in inverse proportion to its volume. In the frame of the solvation mechanism, effects of nonisotopity and nonlocality of medium (like zeolites), effects of spatial dispersion may be taken into account. The fluctuation mechanism of free energy change of the system has usually a minor contribution to the complete change of system’s free energy, but it should be considered for systems where contribution of solvation mechanism is not great and also for systems, where vibration frequencies of the impurity particle change greatly upon placing it in a polar medium. The obtained results will promote the investigations of adsorption processes on the zeolite surface, the study of kinetics of charge transfer and particle transfer process in channels of composite materials.enthermodynamic analysispolar mediumfree energiesspatial dispersionfrequency dispersionzeolitesთერმოდინამიკური ანალიზიპოლარული გარემოთავისუფალი ენერგიებისივრცითი დისპერსიასიხშირის დისპერსიაცეოლიტებიtext::journal::journal articlehttps://doi.org/10.48616/openscience-582