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Abstract

Protection study of the corrosion behavior of Copper surface was conducted with several concentrations of drug. Experimentally, voltammetric measurements were used to check the inhibition efficiency (% IE) in saline solution of 3.5% NaCl. The results showed an increase in the inhibition efficiency with increasing the concentration of the drug was 95.90%. Theoretical treatment of the drug in the gas phase was performed using the (hyperchem-8.07) program for molecular mechanics and semi-empirical computations. The (PM3) approach was used to determine the heat of formation (ΔH˚f), binding energy (ΔEb), and total energy (ET) for durq at 298 K. To explore the reactive sites of the compound, the electrostatic potential (L) was computed

Keywords

Corrosion resistance, Druq, DFT, Seawater, Theoretical studies

Subject Area

Chemistry

Article Type

Article

First Page

17890

Last Page

17898

Creative Commons License

Creative Commons Attribution 4.0 International License
This work is licensed under a Creative Commons Attribution 4.0 International License.

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