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Molecules
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Synthesis, Characterization and Theoretical Study of Corrosion Inhibitors
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Synthesis, Characterization and Theoretical Study of Corrosion Inhibitors

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

Deadline for manuscript submissions: 31 July 2024 | Viewed by 6682

Special Issue Editor

Dr. Sourav Kr. Saha

E-Mail Website
Guest Editor
Department of Materials Science and Engineering, Pusan National University, Busan 46241, Republic of Korea
Interests: corrosion inhibition; corrosion inhibitor; theoretical simulation; electrochemistry; thin film; surface characterization; coating

Special Issue Information

Dear Colleagues,

Corrosion is a highly challenging and concerning phenomenon that causes considerable safety issues and economic losses. From today’s perspective, the prevention of metallic corrosion is undoubtedly a very challenging task, considering the vital role of metals and their alloys in several industrial applications. One of the most efficient methods for combating corrosion is the use of corrosion inhibitors, which reduces the rate of corrosion to the desired level with minimum adverse effects on the environment. In the last few decades, several corrosion inhibitors have been synthesized and implemented for the corrosion inhibition of metallic materials. However, growing demands for green chemistry and the restriction of using environmentally hazardous chemicals have endorsed the development of ecofriendly corrosion-inhibitor molecules. In view of this, researchers have recently focused on the design and development of green corrosion inhibitors.

From another perspective, due to the development of efficient hardware and software in the computer-related system, it is now possible to provide an explanation regarding the inhibitive performances of inhibitors from the atomic as well as the molecular level of theory. Density functional theory (DFT), density functional tight binding (DFTB), and molecular dynamics (MD) simulation are efficient to establish a relationship between the molecular properties of inhibitors and their corresponding inhibitive performances. To date, a combined experimental and theoretical study provides a detailed insight into the development of efficient and sustainable corrosion inhibitors.

This Special Issue aims to address the recent development of efficient inhibitors in the field of metallic corrosion inhibition, which can offer an open access forum where researchers in the field of chemistry, materials science, and surface engineering can publish their recent developments. Fundamental, interdisciplinary, theoretical, experimental, and applied works are invited for submission.

Dr. Sourav Kr. Saha
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. 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

  • corrosion inhibition
  • corrosion inhibitor
  • theoretical simulation
  • electrochemistry
  • thin film
  • surface characterization
  • coating

Published Papers (4 papers)

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Research

17 pages, 5545 KiB  
Article
Evaluation of the Impact of Two Thiadiazole Derivatives on the Dissolution Behavior of Mild Steel in Acidic Environments
by Ibrahim O. Althobaiti, Salah Eid, Karam S. El-Nasser, Nady Hashem and Eid Eissa Salama
Molecules 2023, 28(9), 3872; https://doi.org/10.3390/molecules28093872 - 4 May 2023
Cited by 2 | Viewed by 1259
Abstract
In light of the variety of industrial uses and economic relevance of mild steel, corrosion resistance is a serious topic. Utilization of inhibitors serves as one of the most essential methods for corrosion control. Two thiadiazole compounds, namely, 2-amino-5-(4-bromobenzyl)-1,3,4-thiadiazole (a1) and [...] Read more.
In light of the variety of industrial uses and economic relevance of mild steel, corrosion resistance is a serious topic. Utilization of inhibitors serves as one of the most essential methods for corrosion control. Two thiadiazole compounds, namely, 2-amino-5-(4-bromobenzyl)-1,3,4-thiadiazole (a1) and 2-amino-5-(3-nitrophenyl)-1,3,4-thiadiazole (a2), were synthesized. The structure of the prepared compounds was verified by Fourier transform infrared spectroscopy (FTIR) and proton and carbon-13 nuclear magnetic resonance spectroscopy (1H NMR and 13C NMR). In a 0.50 M H2SO4 solution, the effectiveness of two synthetic thiadiazole derivatives as mild steel corrosion inhibitors were investigated. In this evaluation, various electrochemical methodologies have been utilized, such as potentiodynamic polarization, open circuit potential (OCP), and electrochemical impedance spectroscopy (EIS). The results confirm the efficiency of the inhibition increases by raising concentrations of a1 and a2. The inhibitory behavior was explained by the notion that the adsorption of thiadiazole molecules, a1 and a2, on the surface of mild steel causes a blockage of charge and mass transfer, protecting the mild steel from offensive ions. Furthermore, the synthesized molecules a1 and a2 were analyzed using density functional theory (DFT). Full article
(This article belongs to the Special Issue Synthesis, Characterization and Theoretical Study of Corrosion Inhibitors)
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18 pages, 7703 KiB  
Article
A pH-Controlled Solid Inhibitor Based on PAM Hydrogel for Steel Corrosion Protection in Wide Range pH NaCl Medium
by Qing Yang, Bing Lin, Junlei Tang, Yingying Wang, Hongpeng Zheng, Hailong Zhang, Zhen Nie and Yanna Zhang
Molecules 2023, 28(3), 1314; https://doi.org/10.3390/molecules28031314 - 30 Jan 2023
Cited by 2 | Viewed by 1710
Abstract
To provide carbon steel a long-term corrosion protection effect in NaCl solutions with different pH values, based on poly-acrylamide (PAM) and oleate imidazoline (OIM), a solid corrosion inhibitor with the properties of pH-controlled release was synthesized. SEM, FTIR and [...] Read more.
To provide carbon steel a long-term corrosion protection effect in NaCl solutions with different pH values, based on poly-acrylamide (PAM) and oleate imidazoline (OIM), a solid corrosion inhibitor with the properties of pH-controlled release was synthesized. SEM, FTIR and TGA results indicated that the OIM inhibitors were successfully loaded into PAM hydrogel with a high OIM encapsulation content (39.64 wt.%). The OIM release behavior from the hydrogel structure has two stages, quick release and sustained release. The pH of solutions could affect the initial release kinetics of OIM inhibitors and the diffusion path in the hydrogel structure. Weight loss measurement of L80 steel in different pH solutions with OIM@PAM proved the inhibitor responsive release mechanism and anticorrosion performance. The inhibition efficiency of OIM@PAM can maintain over 80% after long-term immersion in a harsh corrosive environment (pH 3), which is much higher than the inhibition efficiency of OIM@PAM in a moderate corrosive solution. Full article
(This article belongs to the Special Issue Synthesis, Characterization and Theoretical Study of Corrosion Inhibitors)
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21 pages, 8341 KiB  
Article
Inhibition of X52 Corrosion in CO2-Saturated Brine by a Dialkyl-Diamide from Coffee Bagasse Oil
by N. B. Gomez-Guzman, Jorge Canto, L. M. Martinez-de-la-Escalera, Adrián Neri and J. Porcayo-Calderon
Molecules 2023, 28(2), 763; https://doi.org/10.3390/molecules28020763 - 12 Jan 2023
Cited by 1 | Viewed by 1113
Abstract
This work reports the performance of a green corrosion inhibitor with double hydrocarbon chain. The evaluated inhibitor was a dialkyl-diamide from coffee bagasse oil and its electrochemical behavior was evaluated on an API-X52 steel in CO2-saturated brine at 60 °C. The [...] Read more.
This work reports the performance of a green corrosion inhibitor with double hydrocarbon chain. The evaluated inhibitor was a dialkyl-diamide from coffee bagasse oil and its electrochemical behavior was evaluated on an API-X52 steel in CO2-saturated brine at 60 °C. The electrochemical behavior was determined by measurements of open circuit potential, polarization resistance, and electrochemical impedance spectroscopy. In addition, the thermodynamic parameters of the corrosion process were obtained in the temperature range from 40 °C to 80 °C. Electrochemical studies showed that the inhibitor is capable of suppressing metal dissolution by up to 99% at 25 ppm. On the other hand, the thermodynamic parameters indicate that when adding the inhibitor, there is a strong increase in both Ea and ΔH° values, and that as time increases, they decrease until reaching similar values to those observed in the absence of the inhibitor. Furthermore, ΔS° values tend to become more negative with immersion time because of the formation of a stable film on the metal surface. Full article
(This article belongs to the Special Issue Synthesis, Characterization and Theoretical Study of Corrosion Inhibitors)
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28 pages, 77371 KiB  
Article
Experimental and Theoretical Studies on Acid Corrosion Inhibition of API 5L X70 Steel with Novel 1-N-α-d-Glucopyranosyl-1H-1,2,3-Triazole Xanthines
by Alma Sánchez-Eleuterio, Carlos Mendoza-Merlos, Ricardo Corona Sánchez, Alejandra M. Navarrete-López, Anatolio Martínez Jiménez, Elsie Ramírez-Domínguez, Leticia Lomas Romero, Ricardo Orozco Cruz, Araceli Espinoza Vázquez and Guillermo E. Negrón-Silva
Molecules 2023, 28(1), 460; https://doi.org/10.3390/molecules28010460 - 3 Jan 2023
Cited by 4 | Viewed by 1896
Abstract
A series of novel 1-N-α-d-glucopyranosyl-1H-1,2,3-triazole xanthines was synthesized from azido sugars (glucose, galactose, and lactose) and propargyl xanthines (theophylline and theobromine) using a typical copper (I)-catalyzed azide–alkyne 1,3-dipolar cycloaddition. The corrosion inhibition activities of these new carbohydrate-xanthine [...] Read more.
A series of novel 1-N-α-d-glucopyranosyl-1H-1,2,3-triazole xanthines was synthesized from azido sugars (glucose, galactose, and lactose) and propargyl xanthines (theophylline and theobromine) using a typical copper (I)-catalyzed azide–alkyne 1,3-dipolar cycloaddition. The corrosion inhibition activities of these new carbohydrate-xanthine compounds were evaluated by studying the corrosion of API 5 L X70 steel in a 1 M HCl medium. The results showed that, at 10 ppm, a 90% inhibition efficiency was reached by electrochemical impedance spectroscopy. The inhibitory efficiency of these molecules is explained by means of quantum chemical calculations of the protonated species with the solvent effect, which seems to better represent the actual situation of the experimental conditions. Some quantum chemical parameters were analyzed to characterize the inhibition performance of the tested molecules. Full article
(This article belongs to the Special Issue Synthesis, Characterization and Theoretical Study of Corrosion Inhibitors)
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