SORPTION OF IONS OF SOME METAL ON CLINOPTILOLITE IN THE PRESENCE OF GALLIC ACID

The Gibbs energy changes for the reaction between copper, cadmium, and lead ions complexes with gallic acid clinoptilolite containing single-charged (Na, K) double-charged (Ca, Mg) exchange were calculated. software PRIRODA PBE/3ζ theoretical method has been used these calculations:
 (GalAn)2X×2H2O + Clin-Me 2H3O+ → X(H2O)n-Clin 2GalAn– (6-n)H2O 2Me+(Me2+).
 thermodynamic possibility of spontaneous ion heavy metal (Cu2+, Cd2+, Pb2+) was shown. This indicates removal from soil, their coordination by polyphenols. a significant decrease in content Cu2+, Pb2+ investigated both absence its presence solution (initial concentration 2 mmol/l, ratio Me2+: is 1:0, 1:1, 1:2). It found that sodium form influences growth sorption properties clinoptilolite, allowing to exclude 22% more copper ions, compared natural Sokyrnytsya deposit. Two mechanisms reducing metals soil have proposed.
 Keywords: clinoptilolite; sorption; metal; quantum-chemical calculations; acid.