Corrosion Inhibition and Adsorption Properties of N-{2-[2-(5-Methyl-1H-pyrazol-3-yl)acetamido]phenyl}benzamide Monohydrate on C38 Steel in 1 M HCl: Insights from Electrochemical Analysis, DFT, and MD Simulations

ACS Omega, Journal Year: 2025, Volume and Issue: 10(6), P. 6244 - 6257

Published: Feb. 3, 2025

The heterocyclic compound N-{2-[2-(5-methyl-1H-pyrazol-3-yl)acetamido]-phenyl}benzamide monohydrate (MPAPB) was synthesized and structurally characterized by using nuclear magnetic resonance (NMR), mass spectrometry, infrared (IR) spectroscopy. Its corrosion inhibition performance for C38 in 1 M HCl evaluated gravimetric weight loss measurements, electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP) techniques. MPAPB demonstrated a high efficiency of 90.2% at concentration mM, accompanied substantial decrease the current density. Electrochemical results revealed that acts as mixed-type inhibitor, reducing both anodic cathodic reactions, while increasing charge transfer resistance (R p) decreasing double-layer capacitance (C dl), indicative effective surface adsorption. adsorption behavior consistent with Langmuir isotherm, suggesting combination physical chemical mechanisms. Density functional theory (DFT) calculations molecular dynamics (MD) simulations further elucidated interaction between steel surface, highlighting role electron-donating heteroatoms π-electron systems These theoretical findings were agreement experimental results, confirming formation protective layer inhibits corrosion.

Language: Английский

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Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 141428 - 141428

Published: Jan. 1, 2025

Language: Английский

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Journal of Bio- and Tribo-Corrosion, Journal Year: 2025, Volume and Issue: 11(1)

Published: Jan. 23, 2025

Language: Английский

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Next research., Journal Year: 2025, Volume and Issue: unknown, P. 100194 - 100194

Published: Feb. 1, 2025

Language: Английский

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Colloids and Surfaces A Physicochemical and Engineering Aspects, Journal Year: 2025, Volume and Issue: unknown, P. 136347 - 136347

Published: Feb. 1, 2025

Language: Английский

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Progress in Additive Manufacturing, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 27, 2025

Language: Английский

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Journal of Bio- and Tribo-Corrosion, Journal Year: 2025, Volume and Issue: 11(2)

Published: March 3, 2025

Language: Английский

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Influence of laser power and scan speed on porosity, microhardness, and corrosion resistance in HCl medium of additively manufactured H13 tool steel

Progress in Additive Manufacturing, Journal Year: 2025, Volume and Issue: unknown

Published: March 28, 2025

Language: Английский

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Dianiline-epoxy modification as effective defender agent in metal corrosion: a combined experimental and computational approach

Canadian Metallurgical Quarterly, Journal Year: 2025, Volume and Issue: unknown, P. 1 - 18

Published: April 2, 2025

Language: Английский

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Zinc-doped Tannic Acid-L-Histidine Complexes Functionalized Graphene Oxide 2D-Nanosheets Reinforced Epoxy Coating with Durable Smart/self-healable Anti-Corrosion Performance

Surfaces and Interfaces, Journal Year: 2025, Volume and Issue: unknown, P. 106617 - 106617

Published: May 1, 2025

Language: Английский

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