Surface analysis and interface properties of a newly synthesized quinoline-derivative corrosion inhibitor for mild steel in acid pickling bath: Mechanistic exploration through electrochemical, XPS, AFM, contact angle, SEM/EDS, and computational studies

Journal of Physics and Chemistry of Solids, Journal Year: 2023, Volume and Issue: 184, P. 111681 - 111681

Published: Oct. 5, 2023

Language: Английский

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Evaluating the efficacy of synthesized quinoline derivatives as Corrosion inhibitors for mild steel in acidic environments: An analysis using electrochemical, computational, and surface techniques

Journal of Molecular Structure, Journal Year: 2023, Volume and Issue: 1295, P. 136514 - 136514

Published: Aug. 28, 2023

Language: Английский

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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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Anticorrosion properties of the epoxy polymer TGETBAU for mild steel in a solution of HCl (1.0 M): Experimental and computational approaches

Journal of Molecular Structure, Journal Year: 2023, Volume and Issue: 1284, P. 135441 - 135441

Published: March 27, 2023

Language: Английский

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Investigating the Inhibitory Properties of Cupressus sempervirens Extract against Copper Corrosion in 0.5 M H₂SO₄: Combining Quantum (Density Functional Theory Calculation–Monte Carlo Simulation) and Electrochemical-Surface Studies

ACS Omega, Journal Year: 2023, Volume and Issue: 8(27), P. 24218 - 24232

Published: June 29, 2023

The study investigates the potential of Cupressus sempervirens (EO) as a sustainable and eco-friendly inhibitor copper corrosion in 0.5 M sulfuric acid medium. electrochemical impedance spectroscopy analysis shows that effectiveness inhibition rises with increasing concentrations, reaching 94% application 2 g/L EO, potentiodynamic polarization (PDP) studies reveal EO functions mixed-type inhibitor. In addition, Langmuir adsorption isotherm is an effective descriptor its adsorption. Scanning electron microscopy/energy-dispersive X-ray spectroscopy, atomic force microscopy surface examination, contact angle measurement indicate may form barrier layer on metal surface. Density functional theory calculations, Monte Carlo simulation models, radial distribution function were also used to provide more detailed understanding protection mechanism. Overall, findings suggest has serve for medium, contributing development green inhibitors environmentally friendly industrial processes.

Language: Английский

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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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Synergistic shielding of copper from nitric acid corrosion: Unveiling the mechanisms through electrochemical, characterization, and computational insights with 2-Hydroxybenzaldehyde oxime

Inorganic Chemistry Communications, Journal Year: 2024, Volume and Issue: 165, P. 112479 - 112479

Published: April 29, 2024

Language: Английский

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Corrosion inhibition of mild steel in acidic environments: Mechanistic insights and protective effects of azo-cum inhibitor

Journal of environmental chemical engineering, Journal Year: 2024, Volume and Issue: 12(2), P. 112354 - 112354

Published: Feb. 28, 2024

Language: Английский

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Novel imidazole based ionic liquid as anti-corrosion additive for aluminum alloy: Combined experimental, DFT/MD simulation and soft computing approach

Applied Surface Science Advances, Journal Year: 2024, Volume and Issue: 19, P. 100578 - 100578

Published: Feb. 1, 2024

The anti-corrosion effectiveness of novel 1‑butyl‑3-methylimidazolium tetrachloroindate ionic liquid ([C4MIM][InCl4] (IL)) for aluminum-silicon-titanium (Al-Si-Ti) based aluminum alloy in 1mole (M) potassium hydroxide (KOH) electrolyte at 303–343 K was explored the current study. To realize this, standard methods such as weight loss, electrochemical investigation, density functional theory (DFT)/molecular dynamics simulation (MD-simulation), scanning electron microscope (SEM), and force microscopy (SFM), were employed to scrutinize successfulness [C4MIM][InCl4] KOH solution. From our findings, mitigated corrosion Al-Si-Ti alloy, inhibition efficiency (IE%) is enhanced with improved concentration. efficiencies obtained 0.8 g/L concentration 88.46%, 82%, 82.35%, gravimetric, potentiodynamic polarization (PDP) impedance spectroscopy (EIS) procedures, respectively. PDP result disclosed performed like a mixed-type inhibitor cathodic predominance. SEM/SFM examination proved that developed shield coat on metal surface. thermodynamic probe molecules fastened onto surface by physisorption mechanism best fitted Frumkin adsorption isotherm model. DFT/MD-simulation procedure confirmed configuration orientation gas aqueous phase which harmony experimental discovering. Simulated neural network (SNN), adaptive neuro-fuzzy inference system (ANFIS) deployed robust training, forecast modeling interactive effects input parameters expected feedback, Herein, training via ANN ANFIS designs without (GA), well computing statistical indices mean squared error (MSE), hybrid fractional function (HYBRID%), absolute average relative (AARE), Marquardt's percentage deviation (MPSED%) r-squared (R2) appraise models capability. optimal IE% forecasted 88.4842% 89.0643%, ANFIS, Based numerical values calculated much acceptance accorded model over due its high degree precision robustness. aftermath this study furnishes additional information systematic plan mitigation, proffer useful instructions logical use additive threatened alkaline

Language: Английский

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Exploring the efficacy of novel thiohydantoin derivatives with arylacetamide core as corrosion inhibitors for mild steel in acidic medium: insights from electrochemical analysis, comprehensive characterization, and quantum studies

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1312, P. 138612 - 138612

Published: May 12, 2024

Language: Английский

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