DFT and experimental studies on the inhibition potentials of expired Tramadol drug on mild steel corrosion in hydrochloric acid

Parul Dohare, D. S. Chauhan, A. A. Sorour, M. A. Quraishi*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

96 Scopus citations

Abstract

The effectiveness of expired Tramadol (ETr) as a corrosion inhibitor for mild steel in 1 M HCl solution was tested by electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), surface analysis (SEM and AFM), and density functional theory (DFT) methods The data obtained from EIS and PDP curve indicated the inhibition efficiency is in direct relationship to Tramadol concentration. The Langmuir adsorption isotherm data confirms a physiochemical mechanism. The SEM and AFM analyses reveal a smoother surface of mild steel. The DFT calculations were used to evaluate the electronic parameters of the neutral and protonated forms of the drug.

Original languageEnglish
Pages (from-to)30-41
Number of pages12
JournalMaterials Discovery
Volume9
DOIs
StatePublished - Sep 2017

Bibliographical note

Publisher Copyright:
© 2017 Elsevier Ltd

Keywords

  • Adsorption
  • DFT
  • Electrochemical impedance spectroscopy
  • Mild steel
  • Potentiodynamic polarization
  • Tramadol

ASJC Scopus subject areas

  • Information Systems
  • General Materials Science

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