2021
DOI: 10.24996/ijs.2021.62.9(si).3
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Estimation of the Efficiency of Corrosion Inhibition by Zn-Dithiocarbamate Complexes: a Theoretical Study

Abstract: Seven Zn-dithiocarbamate complexes were suggested as corrosion inhibitors. Density functional theory (DFT) was used to predict the ability of inhibition. Room temperature conditions were applied to suggest the optimization of complexes, physical properties, and corrosion parameters. In addition, the HOMO, LUMO, dipole moment, energy gap, and other parameters were used to compare the inhibitors efficiency. Gaussian 09 software with LanL2DZ basis set was used. Total electron density (TED) and electrostatic surfa… Show more

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“…Standard glassy carbon electrode was employed as the working electrode, and voltammograms were obtained in the range of -1.2 to +0.5 V at a potential scanning rate of 50 mVs -1 . The system can be matched with the electrical equivalent circuit shown below (22) .…”
Section: Electrochemical Studiesmentioning
confidence: 99%
“…Standard glassy carbon electrode was employed as the working electrode, and voltammograms were obtained in the range of -1.2 to +0.5 V at a potential scanning rate of 50 mVs -1 . The system can be matched with the electrical equivalent circuit shown below (22) .…”
Section: Electrochemical Studiesmentioning
confidence: 99%