Quantum-chemical substantiation of corrosion inhibition of steel with some amino acids

Quantum-chemical substantiation of corrosion inhibition of steel with some amino acids

Автор: Sikachina Andrei, Beloglazov Sergei

Журнал: Бюллетень науки и практики @bulletennauki

Рубрика: Химические науки

Статья в выпуске: 2 т.4, 2018 года.

Бесплатный доступ

The article describes the process of α-amino acid adsorption on iron of mild steel immersed in 0.01 M H2SO4, this process was modeled 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 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 occupied molecular orbitals on the anticorrosive protective effect were obtained and analyzed. On the graphs one can see the equations of lines.

Amino acids, protective anticorrosive effect, corrosion inhibitor, chemical adsorption, mild steel, the charge density per iron atom, partial effective charges, complex compounds, donor and acceptor bonds

Короткий адрес: https://sciup.org/14111810

IDR: 14111810   |   DOI: 10.5281/zenodo.1172758

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