01-33U

In order to investigate the nature of phenomena taking place on a surface of lava-like fuel-containing materials (LFCM), we study interactions between atoms and molecules of gas media in the "Shelter" object with a surface of LFCM components. Using quantum chemistry methods, we calculate the potential energies of oxygen, hydrogen, nitrogen atoms and $OH^ - $ groups on surfaces of iron, iron oxides $FeO$ and $Fe_2 O_3 $, and of SiO$_{2}$, which are important components of LFCM. Adsorption energies and changes in charges of such atoms and molecules during their adsorption on the studied surfaces as well as in charges of surface atoms are found; the obtained results are relevant to electric separation of LFCM.