Experimental, surface and theoretical investigations of a new benzodiazepine derivative designed for corrosion inhibition of carbon steel in 15% hydrochloric acid medium under hydrodynamic environment

Ambrish Singh*, K. R. Ansari, Ismat H. Ali, Muhammad Younas, Abdullah K. Alanazi, Aeshah H. Alamri, Yuanhua Lin

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

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.

Original languageEnglish
Article number111684
JournalInorganic Chemistry Communication
Volume158
DOIs
StatePublished - Dec 2023

Bibliographical note

Publisher Copyright:
© 2023 Elsevier B.V.

Keywords

  • 3D profilometry
  • BDZ
  • Carbon steel
  • Corrosion
  • SKP
  • XPS

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

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