Quantum Chemical Study of Morpholine Derivatives as Inhibitors of Sulfide Corrosion of Steel at Presence of SRB

Issue 1(71) 2014
Pages 26-28

G.S. Beloglazov1, S.M. Beloglazov2

1Perm State Pharmaceutical Academy, Perm, Russian Federation, and University of Dodoma (UDOM), United Republic of Tanzania
2Baltic Federal University named after Immanuel Kant, Kaliningrad

Keywords: quantum chemistry, corrosion inhibitors, sulfide corrosion of steel, SRB, morpholine derivatives

Results on the efficiencies of protective actions against corrosion of mild steel have been compared with the data of quantum chemical computations performed for isolated molecules of studied inhibitors using PM3 method. The most significant pair correlation coefficients were found to be between experimental data on efficiencies of the inhibitors, on one hand, and computed dipolar moments of their isolated molecules, as well as net Mulliken charges on N, O, S atoms, on another. The present conclusions are in favor of the hypothesis that the mechanism of adsorption of inhibitors in case of anti-corrosion action is based on adsorption of studied inhibitors on the surface of the metal being protected against corrosion.