Polyaminopolyphosрhonates and Polyaminopolycarbonoates (That Are Chelators) in Mission of Inhibiting of Microbiological Corrosion with Desulfovibrio Desulfuricans
Бюллетень науки и практики — Bulletin of Science and Practice научный журнал (scientific journal) No. 6 2017 г
17 Pages Posted: 18 Apr 2018 Last revised: 29 Apr 2018
Date Written: April 1, 2018
In this paper, the adsorption process of polyaminopolyphosphonates and polyaminopolyсarbonoates (or chelators or complexones) class on iron (available in steel St3S (Poland) 97%) is modeled using ZINDO/1. The structures of chelators for study were chosen so that the sequential complication of 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 organic compound. In the course of study, the compositions of complexes, the energies of boundary orbitals, and a graph depicting the dependence of the charge density per 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.
Keywords: NTA, EDTA, ATMP, EDTMP, corrosion rate, sulfate–reducing bacteria, hydrogen sulfide corrosion, chemical adsorption, St3S steel, iron, partial effective charges, molecule rigidity, electronegativity, global electrophilicity, composition of complex compounds
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