Polyaminopolyphosрhonates and Polyaminopolycarbonoates (That Are "Chelators") in Mission of Inhibiting of Microbiological Corrosion with Desulfovibrio Desulfuricans
Chemical Methodologies 3(2019) 12-29
18 Pages Posted: 18 Apr 2018 Last revised: 14 Nov 2019
Date Written: November 1, 2019
In this paper, the adsorption process of polyaminopolyphosphonates and polyaminopolyсarbonoates (сhelators or complexones) chemical type on iron (available in steel St3S (Poland) 97%) is modeled with HyperChem 8.0.7 with ZINDO / 1. The structures of сhelators (“complexones”) for researching 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 this researching, the compositions of the complexes obtained, the energies of boundary orbitals, and a graph depicting the dependence "charge density on the iron atom on the component \ 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
Suggested Citation: Suggested Citation