Zea mays bracts extract as an eco-friendly corrosion inhibitor for steel in HCl pickling solution: Experimental and simulation studies

Arabian Journal of Chemistry, Journal Year: 2024, Volume and Issue: 17(9), P. 105895 - 105895

Published: July 5, 2024

Active phytochemicals with unique electron structures can adsorb on metal surfaces and effectively mitigate corrosion. Recently, plant extracts have garnered significant attention as green renewable corrosion inhibitors. In this study, the abundant agricultural byproducts, namely Zea mays bracts, were used extract raw materials, bracts (ZMBE) was served an eco-friendly inhibitor for mild steel (MS) in 1 M HCl pickling solution. The organic substances ZMBE analyzed via ultra-high performance liquid chromatography- quadrupole time-of-flight mass spectrometry (UPLC-QTFMS). interaction between active functional groups MS investigated using Fourier transform infrared (FT-IR) ultraviolet–visible (UV–visible) spectroscopy X-ray photoelectron (XPS). inhibition behavior scrutinized through potentiodynamic polarization (PDP) curves electrochemical impedance (EIS). results show that such aromatic rings, double bonds, hydroxyls successfully surface to form protective films. exhibits a mixed-type "geometric coverage" effect. efficiency (η) increases concentration solution temperature, optimum η 5.0 g·L−1 at 318 K is 96.2 %. adsorption of ingredients follows Langmuir El-Awady isotherms. Density theory (DFT) molecular dynamics (MD) simulations prove synergistic effect complex components mechanism. promising acid broad application prospects.

Language: Английский

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Applications of density functional theory to corrosion and corrosion prevention of metals: A review

Materials Genome Engineering Advances, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 24, 2025

Abstract Recently, density functional theory (DFT) has been a powerful tool to model the corrosion behaviors of materials, provide insights into mechanisms, predict performance and design corrosion‐resistant alloys organic inhibitors. DFT enables scientist fundamentally understand mechanisms materials from perspective atomic electronic structures, combining with traditional advanced experimental tests. This review briefly summarizes main features calculations present comprehensive overview their typical applications prevention metals, involving potential‐pH diagrams, hydrogen evolution reaction, anodic dissolution, passivity breakdown, inhibitor for metals. The paper also reviews correlations between DFT‐computed descriptors micro/macro physiochemical parameters corrosion. Despite great progress achieved by DFT, there are still some challenges in addressing issues due lack bridges DFT‐calculated macro materials. modeling‐experiment‐engineering‐theory will be potential method clarify build links.

Language: Английский

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Study on the Corrosion Inhibition of E24 Steel in Acidic Medium by 1,4-benzoxazine Derivatives: An Approach Combining Chemistry, Electrochemistry, and Theoretical Modeling

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 141545 - 141545

Published: Jan. 1, 2025

Language: Английский

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Synergistic inhibition mechanism of imidazolidine and sodium lauryl polyoxyethylene ether sulfate for Q235 steel in H2SO4 solution: combining experimental measurements with theoretical calculations

Corrosion Science, Journal Year: 2024, Volume and Issue: 236, P. 112260 - 112260

Published: Aug. 1, 2024

Language: Английский

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Understanding the adsorption of imidazole corrosion inhibitor at the copper/water interface by ab initio molecular dynamics

Corrosion Science, Journal Year: 2024, Volume and Issue: 236, P. 112237 - 112237

Published: June 26, 2024

Language: Английский

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Atom-scale insight into the adsorption behavior of imidazole corrosion inhibitors at defective copper/water interfaces

Corrosion Science, Journal Year: 2025, Volume and Issue: unknown, P. 112744 - 112744

Published: Jan. 1, 2025

Language: Английский

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Insight into interfacial adsorption and inhibition mechanism of Aconitum carmichaelii Debx extract as high-efficient corrosion inhibitor for carbon steel in acidic solution

Journal of Molecular Liquids, Journal Year: 2023, Volume and Issue: 393, P. 123602 - 123602

Published: Nov. 15, 2023

Language: Английский

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4-Benzyl-2-(3-(4-fluorophenyl)-2-oxopropyl)-6-phenyl pyridazin-3(2H)-one as a Carbon Steel Corrosion Inhibitor in an Acidic Environment: Electrochemical, Spectroscopic, Thermodynamic, and Quantum Chemical Assessments

Journal of Bio- and Tribo-Corrosion, Journal Year: 2024, Volume and Issue: 10(3)

Published: June 18, 2024

Language: Английский

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Polymeric Carboxylic Acid Functionalized Ionic Liquid as a Green Corrosion Inhibitor: insights into the synergistic effect with KI

Colloids and Surfaces A Physicochemical and Engineering Aspects, Journal Year: 2024, Volume and Issue: 702, P. 135157 - 135157

Published: Aug. 23, 2024

Language: Английский

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Corrosion Resistance of Two Newly Synthesized 8-Quinolinol-Benzimidazoles on Carbon Steel: An Experimental and Theoretical Investigation

Journal of Materials Engineering and Performance, Journal Year: 2023, Volume and Issue: unknown

Published: Nov. 1, 2023

Language: Английский

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