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Recent Experimental and Theoretical Advances of Corrosion Protection

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Electrochemistry".

Deadline for manuscript submissions: 30 August 2025 | Viewed by 727

Special Issue Editors


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Guest Editor
Instituto de Ingeniería, Universidad Veracruzana, Boca del Río 94294, Mexico
Interests: corrosion prevention; electrochemical corrosion; chemical thermodynamics; coatings; kinetic studies

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Guest Editor
Departamento de Física y Química Teórica, Division de Estudios de Posgrado, Facultad de Química, Universidad Nacional Autónoma de México (UNAM), Del. Coyoacán, Ciudad de México 04510, Mexico
Interests: conceptual quantum approaches; theoretical studies; electronic characterization; DFT methods; structural characterization of molecules

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Guest Editor
Departamento de Ciencias Básicas, Universidad Autónoma Metropolitana, Av. San Pablo No. 180, Azcapotzalco, Ciudad de Mexico 02200, Mexico
Interests: synthesis; characterization; corrosion; organic; inhibitors

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Guest Editor
Escuela de Ingeniería y Ciencias, Tecnologico de Monterrey, Ave. Eugenio Garza Sada 2501, Monterrey 64849, Mexico
Interests: molecular-cluster interaction; nanoclusters; carbon allotropes; corrosion inhibitors modelling

Special Issue Information

Dear Colleagues,

Since ancient times, metals have been exploited in human activities due to their excellent mechanical, electrical, and durability properties. Among these metals, steel is extensively utilized in several important industries. However, serious corrosion appears when steel is applied in automotive, construction, aerospace, and maritime industries. Thus, it is important to apply prevention methods to reduce the problems caused by corrosion.

One technique involves corrosion inhibitors, which are compounds that are added to the metal surface in small amounts or are added to the corrosive medium, reducing the likelihood of corrosion occurring. In the literature, a variety of green organic compounds with outstanding properties regarding the effective protection of metal surfaces have been reported; these include derivatives of chitosan, phenyl-methanimine, imidazoline, benzimidazoles, triazoles and ionic liquids.

Therefore, quantum computational methods based on the quantitative structure-activity/property (QSAR/QSPR) paradigm have been proposed in recent years; these techniques off an alternative to experimental methods and enable the application of a wide range of mathematical tools that are frequently employed in machine learning and physicochemical theoretical frameworks, such as conceptual density functional theory and molecular dynamics.

This Special Issue of Molecules aims to compile research articles that address the synthesis of chemicals, electrochemical evaluation, characterization, and the theoretical modeling of corrosion inhibition molecules that can be used to effectively protect metallic surfaces.

Dr. Araceli Espinoza-Vázquez
Prof. Dr. Miguel Castro
Prof. Dr. Guillermo E. Negrón-Silva
Dr. Alan Joel Miralrio Pineda
Guest Editors

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. Molecules is an international peer-reviewed open access semimonthly 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 2700 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

  • electrochemical techniques
  • synthesis of corrosion inhibitors
  • molecular dynamics
  • quantum theoretical modelling
  • coatings

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Published Papers (1 paper)

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Research

22 pages, 4179 KiB  
Article
Utilizing Some Indole Derivatives to Control Mild Steel Corrosion in Acidic Environments: Electrochemical and Theoretical Methods
by Eid E. Salama, Saad Alrashdi, Ahmed T. A. Boraei, Salah Eid, Islam Gomaa, Ehab S. Gad, Ahmed A. Elhenawy and Hashem Nady
Molecules 2025, 30(6), 1235; https://doi.org/10.3390/molecules30061235 - 10 Mar 2025
Viewed by 540
Abstract
Ethyl 3-formyl-1H-indol-2-carboxylate (FIC) and 2-(4-methoxyphenyl)-2,4-dihydropyrrolo [3,4-b]indol-3-ol (MPI) were synthesized as indole derivatives. The chemical structures of FIC and MPI were established through analytical and spectroscopic techniques. The inhibitory impacts of FIC and MPI on mild steel (MS) in an acidic environment (0.5 M [...] Read more.
Ethyl 3-formyl-1H-indol-2-carboxylate (FIC) and 2-(4-methoxyphenyl)-2,4-dihydropyrrolo [3,4-b]indol-3-ol (MPI) were synthesized as indole derivatives. The chemical structures of FIC and MPI were established through analytical and spectroscopic techniques. The inhibitory impacts of FIC and MPI on mild steel (MS) in an acidic environment (0.5 M H2SO4) were investigated by employing methodologies including open circuit potential (OCP), electrochemical impedance spectroscopy (EIS), and potentiodynamic polarization (PDP). As the studied indole derivatives adsorbed on the surface of MS, they created a barrier to mass and charge movement, shielding the MS from dangerous ions. It was observed that the inhibitory efficiency (%EF) values increased with the molar concentration of indole derivatives (FIC and MPI). At all concentrations, the two indole derivatives being studied, FIC and MPI, had high efficiency values. The highest efficiencies at 90 ppm were 81.2% with MPI and 76.2% with FIC. The polarization curves also clearly showed that MPI and FIC function as mixed-type inhibitors. Additionally, this study used density functional theory (DFT) and molecular dynamics (MD) simulations to investigate how well the two indole derivatives prevented mild steel corrosion. Full article
(This article belongs to the Special Issue Recent Experimental and Theoretical Advances of Corrosion Protection)
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