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Special Issue "Theoretical and Experimental Assessments of Corrosion Inhibitors"

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A special issue of Coatings (ISSN 2079-6412). This special issue belongs to the section "Corrosion, Wear and Erosion".

Deadline for manuscript submissions: 31 January 2024 | Viewed by 2837

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Dr. Fouad Benhiba

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Department of Chemistry, Ibn Tofail University, Kenitra 14000, Morocco
Interests: corrosion inhibition; DFT calculations; molecular simulation (MD and MC)

Special Issue Information

Dear Colleagues,

The theoretical and experimental investigations of corrosion inhibitors for metallic substrates are among the most widely used research systems in the field of corrosion science. These inhibitor molecules develop a protective layer to minimize metal corrosion, which prevents the metal from coming into direct contact with the corrosive media and, therefore, decreases the corrosion rate. They act on the metal surface by using an adsorption mechanism. The current state of knowledge on corrosion mechanisms leads to a strong demand for experimental, theoretical and modelling studies.

The aim of this Special Issue is to consolidate recent findings related to corrosion and the deterioration of materials, and to give the opportunity to researchers to publish their latest results to understand or solve the corrosion problems of materials using corrosion inhibitors complemented by theoretical approaches to explain the mechanism of inhibition. We invite the submission of high-quality original papers and critical reviews.

Potential topics include, but are not limited to, the following areas:

Corrosion fundamentals;
Corrosion inhibition;
Temperature effect;
Adsorption isotherms;
Surface characterization (SEM, EDX, AFM, etc.);
DFT calculation;
Monte Carlo simulation;
Molecular dynamics simulation.

Dr. Fouad Benhiba
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Coatings is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

theoretical
experimental
inhibitors
metallic substrates
adsorption mechanism

Published Papers (3 papers)

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Research

Open AccessArticle

Assessment of New Imidazol Derivatives and Investigation of Their Corrosion-Reducing Characteristics for Carbon Steel in HCl Acid Solution

Basheer M. Al-Maswari

Amale Boutakiout

Hassan Zarrok

Brahim Lakhrissi

Abdelkabir Bellaouchou

and

Coatings 2023, 13(8), 1405; https://doi.org/10.3390/coatings13081405 - 10 Aug 2023

Viewed by 414

Abstract

This study assessed the corrosion inhibitory and adsorption properties of two imidazol derivatives, namely 5-((2,4,5-triphenyl-1H-imidazol-1-yl)methyl)quinolin-8-ol (TIMQ) and 5-((2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazol-1-yl)methyl)quinolin-8-ol (CDIQ), on carbon steel (CS) in 1 M of HCl using electrochemical methods, including electrochemical impedance spectroscopy (EIS), potentiodynamic polarization measurements (PDP), UV–visible spectroscopy (UV–v), scanning electron microscopy (SEM), and molecular modeling. The findings showed that TIMQ and CDIQ were potent inhibitors with inhibition efficiencies of 94.8% and 95.8%, respectively. The potentiodynamic polarization experiments showed that the inhibitors worked as mixed-type inhibitors, and the impedance investigations supported the improvement of a protective layer for the inhibitor on the metal surface. Each inhibitor was adsorbed onto the carbon steel surfaces, according to the Langmuir adsorption method. The steel was shielded from acidic ions by an adsorbed coating of the inhibitor molecules, according to SEM. Density functional theory (DFT) calculations and molecular dynamics (MD) simulations were used to inspect the results, and a good correlation was found between these results and those of the study. This information can be applied to determine the effectiveness of inhibitors in a HCl acid solution. Full article

(This article belongs to the Special Issue Theoretical and Experimental Assessments of Corrosion Inhibitors)

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Open AccessArticle

Theoretical and Experimental Studies of 1-Dodecyl-3-phenylquinoxalin-2(1H)-one as a Sustainable Corrosion Inhibitor for Carbon Steel in Acidic Electrolyte

Abdelkbir Bellaouchou

and

Coatings 2023, 13(6), 1109; https://doi.org/10.3390/coatings13061109 - 16 Jun 2023

Cited by 1 | Viewed by 779

Abstract

The anti-corrosion features of 1-dodecyl-3-phenylquinoxalin-2(1H)-one (QO12) for carbon steel CS were evaluated in a 1 M HCl solution using potentiodynamic polarization (PDP), electrochemical impedance (EIS) and UV-visible spectroscopy, and scanning electron microscopy (SEM), as well as quantum-chemical methods. The inhibition performance achieves a maximum of 95.33% at 0.001 M. The PDP study revealed that QO12 acts with the character of a mixed-type inhibitor. The EISs mention that the process of corrosion for CS is essentially predominated by the transfer-of-charge mechanism. Moreover, quinoxalinone adsorption follows the Langmuir adsorption isotherm. SEM snapshots show no deterioration after the contribution of QO12 compared to the reference electrolyte. Theoretical calculations suggest that the envisaged inhibitor presents a perfect arrangement capacity through the structure of quinoxalinone. Full article

(This article belongs to the Special Issue Theoretical and Experimental Assessments of Corrosion Inhibitors)

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Open AccessArticle

Anti-Corrosion Coating Formation by a Biopolymeric Extract of Artemisia herba-alba Plant: Experimental and Theoretical Investigations

Walid Daoudi

Abdelmalik El Aatiaoui

and

Coatings 2023, 13(3), 611; https://doi.org/10.3390/coatings13030611 - 13 Mar 2023

Cited by 3 | Viewed by 1190

Abstract

In this modest work, a local biopolymer (CHA), biodegradable, non-toxic, and soluble in acidic media, was extracted from the plant Artemisia herba-alba located in the eastern region of Morocco, and characterized by FT-IR, in order to valorize it as a corrosion inhibitor of mild steel in 1 M HCl medium. The electrochemical tests show that the extract is an excellent corrosion protective agent, reaching a maximum value of 96.17% at the concentration of 800 mg/L in the inhibitor. The potentiodynamic polarization (PDP) curves indicate the mixed behavior of the extract, to reduce the current density from 3.445 mA/cm² to 0.104 mA/cm² in the presence of 800 mg/L in the inhibitor. The biopolymer CHA of the extract of Artemisia herba-alba undergoes the Langmuir adsorption isotherm, whose adsorption energy is −20.75 kJ/mol, which is attributed to the presence of electrostatic and covalent bonds. In addition, the visualization of the metal surface by a scanning electron microscope (SEM) indicates the formation of a protective layer formed by the extracts of Artemisia herba-alba, which confirms the protective characteristic of the extract used. Theoretical investigations by DFT, MD, and MC confirm previous experimental results. Full article

(This article belongs to the Special Issue Theoretical and Experimental Assessments of Corrosion Inhibitors)

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