The prime objective of the present research is to explore the green synthesis of benzodiazepine derivative (BDZ) using the microwave irradiation method and its application as a novel corrosion inhibitor for carbon steel in 15 % HCl under hydrodynamic condition at 1500 rpm. The performance ability of BDZ rises from 42.35 % (without BDZ) to 93.41 % (with BDZ). The BDZ depicted the cathodic inhibitive nature. The charge transfer resistance (Rct) changes from 41.9 Ω cm−1 to 313 Ω cm−1 with the falling of double layer capacitance (Cdl) from 92.1 μF cm−2 to 45.2 μF cm−2 on the introduction of BDZ supports the adsorption of BDZ molecules at the active sites of the carbon steel surface. The molecular adsorption of BDZ is governed by Temkin isotherm. The results of the surface analysis support the creation of an inhibitive layer of BDZ over the carbon steel surface. Density Functional Theory (DFT) and Molecular Dynamic simulations (MD) calculations were further performed to justify the experimental results. Molecular docking was used to analyze the BDZ and sulfate-reducing bacteria (SRB) protein interaction.
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- 3D profilometry
- Carbon steel
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Inorganic Chemistry
- Materials Chemistry