https://doi.org/10.1140/epjp/s13360-025-05972-3
Regular Article
The novel inhibitive action of the N-(p-ethylphenyl)thiobenzohydroxamic acid for mild steel in 1 M HCl medium: electrochemical, thermodynamic, DFT, and MD simulation study
1
Department of Chemistry and Research Centre, Government Digvijay Autonomous Postgraduate College, 491441, Rajnandgaon, Chhattisgarh, India
2
Department of Chemistry, HNB Garhwal University, Srinagar, Uttarakhand, India
3
Department of Structural Engineering, University Teaching Department, Chhattisgarh Swami Vivekanand Technical University (CSVTU), 491107, Bhilai, Chhattisgarh, India
4
Department of Chemistry, Chandigarh University, Mohali, India
5
Chemical & Materials Engineering, New Uzbekistan University, 54 Mustaqillik Ave., 100007, Tashkent, Uzbekistan
6
Western Caspian University, AZ-1001, Baku, Azerbaijan
7
Faculty of Chemistry, National University of Uzbekistan, 100034, Tashkent, Uzbekistan
8
Department of Chemistry, Vishwavidyalaya Engineering College, Ambikapur, Chhattisgarh, India
9
Department of Chemistry and Research Centre, Govt. Shyama Prasad Mukherjee College Sitapur, 497111, Surguja, Chhattisgarh, India
10
Department of Sciences and Humanities, School of Engineering and Technology, Christ University, Bangalore, India
a
drbhaskaran2@gmail.com
b
akhil.uis@cumail.in
c
dakeshwarverma@gmail.com
Received:
8
August
2024
Accepted:
2
January
2025
Published online:
28
January
2025
In this study, a reasonably priced inhibitor of N-(p-ethylphenyl)thiobenzohydroxamic acid (NTHA) is presented to stop steel from corroding in HCl solution. NTHA is investigated as a potential corrosion inhibitor, and the corrosion protection activity of mild steel is evaluated in 1 M HCl as a corrosion medium. Many characterization techniques, including weight loss (WL) measurement, scanning electron microscopy (SEM), electrochemical measurements, molecular dynamics (MD) simulations study, and density functional theory (DFT), have been applied to prove the inhibition performance of NTHA against the corrosion of mild steel. Langmuir adsorption isotherm confirms the prevention of mild steel from the attack of corrosive chloride ions (Cl−) by adsorbing on the metal surface. EIS investigation favors that the NTHA works as a mixed inhibitor. The morphological changes on the mild steel surface have been investigated using surface characterization techniques, i.e., scanning electron microscopy and electron dispersion spectroscopy (EDS). The weight loss study indicates a high inhibition efficiency of NTHA of 93.69% in its optimal concentration of 0.2 g/L at 298 K. DFT analyses show good electron donor property of NTHA, followed by the formation of the chelating complex with metal cations.
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© The Author(s), under exclusive licence to Società Italiana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature 2025
Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
