Keyword: «charge density»

This work is carried out by quantum chemical study of the mechanism of corrosion of steel in aggressive water-salt medium, generated 30% ammonium nitrate solution. Presented modeled semiempirical ZINDO / 1 inorganic ion adsorption process for iron cluster (available in steel in an amount of 97%). During the study were prepared and analyzed: the compositions of the complexes, the charge density on the iron atom of the complexes, a graph showing the dependence of charge of the central atom, ion corrosion rate.