Quantum-Chemical Substantiation Of Corrosion Inhibition Of Steel With Some Amino Acids

A. Sikachina, S. Beloglazov
2018 Zenodo  
The article describes the process of α–amino acid adsorption on the iron of mild steel immersed in 0.01 M H2SO4, this process was modelled using HyperChem 8.0.8 and ZINDO/1. This method reflects the protection against corrosion by chemisorption of α–amino acid on the surface of the metal to form a complex adduct, reliably. The compositions of obtained complexes, the energy of boundary orbitals, a graph depicting the dependence of the charge density on the iron atom and the energy of higher
more » ... ergy of higher occupied molecular orbitals on the anticorrosive protective effect were obtained and analyzed. On the graphs, one can see the equations of lines.
doi:10.5281/zenodo.1172758 fatcat:6pzysu7zifa6pdl7qft2o25zgm