Keyword: «st3s steel»
ART 46182
The published work presents modeled using quantum chemistry package HyperChem version 8.0.7 using semiempirical method ZINDO/1 the adsorption process of organic compounds of the class of sulfonamides, such as iron (available in steel St3S in the amount of 97%). This approach, as will be shown, with high accuracy reflects the process of corrosion protection, with bacterial content by means of chemisorption of organic compounds on the metal surface with the formation of complex compounds. In the research process were obtained and analyzed: the composition of the complexes, a graph showing the dependence of the charge density per atom of iron, from corrosion rates.