ItemArticle

The novel inhibitive action of the N-(p-ethylphenyl)thiobenzohydroxamic acid for mild steel in 1M HCl medium: electrochemical, thermodynamic, DFT, and MD simulation study

Title
The novel inhibitive action of the N-(p-ethylphenyl)thiobenzohydroxamic acid for mild steel in 1M HCl medium: electrochemical, thermodynamic, DFT, and MD simulation study
Creator
Dewangan, Yeestdev; Bhaskaran; Mishra, Vivek Kumar; Saxena, Akhil; Kaur, Jasdeep; Berdimurodov, Elyor; Sahu, Rajesh Kumar; Bargah, Rohit Kumar; Saji, Janita; Verma, Dakeshwar Kumar
Description
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 protectionactivityofmildsteelis evaluated in 1M HCl asacorrosionmedium.Manycharacterization techniques, including weight loss (WL)measurement,scanningelectronmicroscopy(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 0.2g/L at 298K. DFT analyses show good electron donor property of NTHA, followed by the formation of the chelating complex with metal cations. The Author(s), under exclusive licence to SocietItaliana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature 2025.
Source
European Physical Journal Plus;Volume;140;Issue;1;Article No.;75;
Date
01-01-2025
Publisher
Springer Science and Business Media Deutschland GmbH
Coverage
Dewangan Y., Department of Chemistry and Research Centre, Government Digvijay Autonomous Postgraduate College, Chhattisgarh, Rajnandgaon, 491441, India; Bhaskaran, Department of Chemistry, HNB Garhwal University, Uttarakhand, Srinagar, India; Mishra V.K., Department of Structural Engineering, University Teaching Department, Chhattisgarh Swami Vivekanand Technical University (CSVTU), Chhattisgarh, Bhilai, 491107, India; Saxena A., Department of Chemistry, Chandigarh University, Mohali, India; Kaur J., Department of Chemistry, Chandigarh University, Mohali, India; Berdimurodov E., Chemical & Materials Engineering, New Uzbekistan University, 54 Mustaqillik Ave., Tashkent, 100007, Uzbekistan, Western Caspian University, AZ-1001, Baku, Azerbaijan, Faculty of Chemistry, National University of Uzbekistan, Tashkent, 100034, Uzbekistan; Sahu R.K., Department of Chemistry, Vishwavidyalaya Engineering College, Chhattisgarh, Ambikapur, India; Bargah R.K., Department of Chemistry and Research Centre, Govt. Shyama Prasad Mukherjee College Sitapur, Chhattisgarh, Surguja, 497111, India; Saji J., Department of Sciences and Humanities, School of Engineering and Technology, Christ University, Bangalore, India; Verma D.K., Department of Chemistry and Research Centre, Government Digvijay Autonomous Postgraduate College, Chhattisgarh, Rajnandgaon, 491441, India
Rights
Restricted Access; Hardcopy may be available in the library
Relation
ISSN: 21905444;
Format
online
Language
English
Type
Article

Citation

Dewangan, Yeestdev; Bhaskaran; Mishra, Vivek Kumar; Saxena, Akhil; Kaur, Jasdeep; Berdimurodov, Elyor; Sahu, Rajesh Kumar; Bargah, Rohit Kumar; Saji, Janita; Verma, Dakeshwar Kumar, “The novel inhibitive action of the N-(p-ethylphenyl)thiobenzohydroxamic acid for mild steel in 1M HCl medium: electrochemical, thermodynamic, DFT, and MD simulation study,” CHRIST (Deemed To Be University) Institutional Repository, accessed June 20, 2026, https://archives.christuniversity.in/items/show/23003.

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