Synthesis and corrosion inhibition evaluation of a new schiff base hydrazone for mild steel corrosion in HCl medium: electrochemical, DFT, and molecular dynamics simulations studies

Maryam Chafiq; Abdelkarim Chaouiki; Hassane Lgaz; Rachid Salghi; Santosh L. Gaonkar; K. Subrahmanya Bhat; Riadh Marzouki; Ismat H. Ali; Mohammad I. Khan; Hiroki Shimizu; Ill-Min Chung

doi:10.1080/01694243.2019.1707561

journal article·2020-06-17

Synthesis and corrosion inhibition evaluation of a new schiff base hydrazone for mild steel corrosion in HCl medium: electrochemical, DFT, and molecular dynamics simulations studies

Maryam Chafiq, Abdelkarim Chaouiki, Hassane Lgaz, Rachid Salghi, Santosh L. Gaonkar, K. Subrahmanya Bhat, Riadh Marzouki, Ismat H. Ali, Mohammad I. Khan, Hiroki Shimizu, Ill-Min Chung

Journal of Adhesion Science and Technology· Volume 34· Issue 12

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Source abstract

Abstract

The development of cost-effective, sustainable, eco-friendly and efficient compounds is a renovated science and a demanding assignment for today’s chemists and technology specialists. In this context, the anticorrosion effect of a new Schiff base hydrazone, namely (E)-2-(4-(2-(methyl(pyridin-2-yl)amino)ethoxy)benzylidiene)hydrazine-1-carboxamide (MPAH) against the mild steel (MS) surface in 1.0 M HCl has been analyzed utilizing experimental methods, thermodynamic characterizations, and computational studies. MPAH has proven to be an effective inhibitor in 1.0 M HCl solution. Its inhibition performance improved by raising the concentration of the compound to an optimal concentration of 5 × 10−3 M, and 97% efficiency was achieved at 303 K. Inhibitor adsorption on the MS has been explicated with both physical and chemical interactions. The adsorption was in accordance with the isotherm of Langmuir. The impact of MPAH on the surface of MS had been confirmed utilizing SEM/EDX, electrochemical impedance spectroscopy (EIS), gravimetric measurements (WL), and potentiodynamic polarization (PDP). The adsorption of the studied compound on the MS surface has also been investigated by DFT and the molecular dynamics (MD) simulations.

Source: openalex_inverted_index · Quality: baseline

Research context

Metals & alloys

OpenAlex topics: Corrosion Behavior and Inhibition · Concrete Corrosion and Durability · Hydrogen embrittlement and corrosion behaviors in metals

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Laboratory of Applied Chemistry and Environment, ENSA, University Ibn Zohr, Agadir, Morocco;

Department of Crop Science, College of Sanghur Life Science, Konkuk University, Seoul, South Korea;

Department of Chemistry, Manipal Institute of Technology, Manipal Academy of Higher Education, Manipal, India;

Department of Chemistry, College of Science, King Khalid University, Abha, Kingdom of Saudi Arabia;

Laboratory of Materials, Crystal Chemistry and Applied Thermodynamics, LR15ES01, Faculty of Sciences of Tunis, University of Tunis El Manar, Tunis, Tunisia;

Chemistry Department, Faculty of Sciences of Sfax, University of Sfax, Sfax, Tunisia;

Chemical Engineering Department, College of Engineering, King Khalid University, Abha, Kingdom of Saudi Arabia;

National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Japan

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