Study of sulfonamides (used as corrosion inhibitors) for possibility to adsorption on steel
Автор: Sikachina Andrei
Журнал: Бюллетень науки и практики @bulletennauki
Рубрика: Химические науки
Статья в выпуске: 6 (19), 2017 года.
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In this paper, the process of adsorption of organic compounds of the sulfonamides class on iron (available in 97% of St3 steel) is modeled using the HyperChem package version 8.0.7 using the semi-empirical ZINDO / 1 method. The structures of sulfonamides for the study were chosen so that the sequential complication of the molecular structure could be traced. Such an approach, as will be shown below, accurately reflects the process of corrosion protection with bacterial content by chemisorption of an organic compound on the metal surface to form a complex compound. In the course of the study, the compositions of the complexes obtained, the energies of the boundary orbitals, and a graph depicting the dependence of the charge density on the iron atom on the component of the corrosion rate that is due to chemisorption effects were obtained and analyzed. On the graph there are equations of lines.
Sulfonamides, corrosion rate, sulfate-reducing bacteria, hydrogen sulfide corrosion, chemical adsorption, st3 steel, iron, partial effective charges, molecule rigidity, electronegativity of the molecule, global electrophilicity of the molecule, composition of complex compounds
Короткий адрес: https://sciup.org/14111609
IDR: 14111609 | DOI: 10.5281/zenodo.808179
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