Detailed DFT/MD simulation, QSAR modeling, electrochemical, and surface morphological studies of self-assembled surfactants as eco-friendly corrosion inhibitors for copper in 1 M HNO3 solution

Journal of Industrial and Engineering Chemistry, Journal Year: 2024, Volume and Issue: 138, P. 237 - 255

Published: April 2, 2024

Language: Английский

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Electrochemical, gravimetric, quantum chemical and computational investigations on an effective synthetic chlorinated cyclic imide derivative as a corrosion inhibitor for carbon steel in sulfuric acid solution

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1307, P. 138040 - 138040

Published: March 13, 2024

Language: Английский

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Mathematical, electrochemical, spectroscopic and microscopic monitoring of the adsorption effect of expired drugs on zinc corrosion in 3.5% NaCl solution

Results in Chemistry, Journal Year: 2025, Volume and Issue: 13, P. 102006 - 102006

Published: Jan. 1, 2025

Language: Английский

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Corrosion inhibition performance of new Schiff base cyclohexanamine derivatives on C-steel in 1 M HCl solution: Electrochemical, chemical, surface and computational explorations

Inorganic Chemistry Communications, Journal Year: 2024, Volume and Issue: 163, P. 112339 - 112339

Published: March 24, 2024

Language: Английский

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One-pot synthesis of N'-(thiophen-2-ylmethylene)isonicotinohydrazide Schiff-base as a corrosion inhibitor for C-steel in 1 M HCl: Theoretical, electrochemical, adsorption and spectroscopic inspections

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1318, P. 139315 - 139315

Published: July 20, 2024

Language: Английский

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Combined electrochemical, surface analysis and DFT/MD-simulations to evaluate choline histidine ionic liquid as a green corrosion inhibitor for mild steel in neutral medium.

Materials Today Communications, Journal Year: 2024, Volume and Issue: 40, P. 109871 - 109871

Published: July 20, 2024

Language: Английский

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Eco-friendly modified chitosan as corrosion inhibitor for carbon steel in acidic medium: Experimental and in-depth theoretical approaches

International Journal of Biological Macromolecules, Journal Year: 2024, Volume and Issue: 279, P. 135408 - 135408

Published: Sept. 10, 2024

Language: Английский

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Multifunctional Novel Lanthanide Complexes Based on Chromone Moiety for Corrosion Inhibition, Molecular Docking, and Anticancer and Antimicrobial Applications

Applied Organometallic Chemistry, Journal Year: 2025, Volume and Issue: 39(3)

Published: Feb. 5, 2025

ABSTRACT Two novel multifunctional complexes [M(CCAM) 2 (NO 3 )](NO ) ·C H 5 OH (M = Dy (III)/Er (III); CCAM 2‐cyano‐ N ′‐((4‐oxo‐4H‐chromen‐3‐yl)methylene)acetohydrazide) were synthesized and characterized via elemental thermal analyses, molar conductivity, UV–vis., FT‐IR spectroscopy, revealing a 1:2 metal‐to‐ligand stoichiometry. The ligand coordinated with Dy(III) or Er(III) ions through nitrogen of azomethine oxygen the carbonyl γ‐pyran groups. Corrosion inhibition studies for Dy(CCAM), Er(CCAM), on carbon steel (C‐steel) in 1‐M HCl showed Dy(CCAM) Er(CCAM) as highly efficient, offering best protection. In solution, Fe 2+ at C‐steel surface interacts CCAM, compounds, demonstrated by UV–vis spectroscopy. At concentration 10 −3 M, compounds greater performance efficiency weight loss test reaching 93.34% 95.67%, respectively. Langmuir adsorption isotherm pronounced mixed mechanisms. characteristics SEM, EDX, AFM, contact angle measurements confirmed shielding. vitro antibacterial antifungal activity prepared against organisms, including Escherichia coli , Pseudomonas aeruginosa Staphylococcus aureus Bacillus subtilis bacteria, C andida albicans A spergillus fumigatus fungi is carried out. inhibitor exhibits greatest action different tested antimicrobials. Additionally, cytotoxicity produced growth inhibitory effects Erlish Acities Carcinoma was ascertained. found to have cytotoxic levels (IC 50 64 65 μM), As result, more effective therapeutic approach creation antimicrobial antitumor agents. For superior corrosion protection, theoretical molecular docking DFT MD simulations validated experimental results.

Language: Английский

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Comparison of the inhibition effects of Morpholine-based inhibitors on plain carbon steel in 3.5 wt.% NaCl and 0.5 M H2SO4 environments: Experimental and theoretical

Surfaces and Interfaces, Journal Year: 2025, Volume and Issue: unknown, P. 106206 - 106206

Published: March 1, 2025

Language: Английский

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Amphiphilic Janus Graphene Oxide Acts as a Corrosion Inhibitor to Mitigate the Corrosion Caused by a 1 M HCl Solution on Mild Steel

Langmuir, Journal Year: 2024, Volume and Issue: 40(24), P. 12709 - 12720

Published: June 6, 2024

Great aqueous dispersibility, a large specific surface area, and high impermeability make graphene oxide (GO) the ideal candidate for high-performance corrosion inhibitor. Numerous symmetrical modification methods have been reported to enhance adsorption of GO on metal surfaces in various corrosive media. This work aims investigate enhancement mechanism unilateral hydrophobic inhibition performance GO. In this study, amphiphilic Janus (JGO) was prepared by grafting alkyl chains one side GO, its anticorrosion evaluated via weight loss experiments electrochemical tests. The results revealed that efficiency Q235 mild steel (MS) 1 M HCl solution 25 ppm JGO (81.08%) much higher than at same concentration (22.12%). Furthermore, Langmuir isotherm computational study demonstrated synergistic effect physical chemical promoted hydrophilic close metal, dense protective layer formed toward medium, which effectively hindered MS acidic liquid. emphasizes significant role asymmetrically modified improving prevention provides perspective structural design GO-based inhibitors.

Language: Английский

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