TY - JOUR ID - 66889 TI - Polyaminopolyphosрhonates and Polyaminopolycarbonoates (that are “Chelators”) in Mission of Inhibiting of Microbiological Corrosion with Desulfovibrio Desulfuricans JO - Chemical Methodologies JA - CHEMM LA - en SN - 2645-7776 AU - Andrey Anatolevich, Sikachina AU - Michailovich, Beloglazov Sergey AD - Chemical and Biological Institute, Immanuel Kant Baltic Federal University, Kaliningrad-City, Russian Federation. SPIN-code: 8133-3363 AD - Chemical and Biological Institute, Immanuel Kant Baltic Federal University, Kaliningrad-City, Russian Federation Y1 - 2019 PY - 2019 VL - 3 IS - 1 SP - 12 EP - 29 KW - NTA KW - EDTA KW - ATMP KW - EDTMP KW - corrosion rate DO - 10.22034/chemm.2018.66889 N2 - In this paper, the process of adsorption of organic compounds of the polyaminopolyphosphonates and polyaminopolyсarbonoates (сhelators or complexones) chemical type on iron (available in steel St3S (Poland) 97%) is modeled using the HyperChem package version 8.0.7 with semi-empirical ZINDO / 1 method. The structures of сhelators (“complexones”) 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. UR - https://www.chemmethod.com/article_66889.html L1 - https://www.chemmethod.com/article_66889_d7ed0d0b3dbe8967f3973ac466f1f2b7.pdf ER -