Experimental and Theoretical Insights into the Corrosion Mitigation Efficacy of Novel Quinoline-Based Pyrazole and Isoxazole Derivatives.

Colloids and Surfaces A Physicochemical and Engineering Aspects, Год журнала: 2025, Номер unknown, С. 136241 - 136241

Опубликована: Янв. 1, 2025

Язык: Английский

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Synthesis of novel thiazole derivatives and their assessment as efficient corrosion inhibitors on mild steel in acidic medium

Progress in Organic Coatings, Год журнала: 2025, Номер 203, С. 109156 - 109156

Опубликована: Фев. 25, 2025

Язык: Английский

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Performance of two new imidazoline derivatives as potential corrosion inhibitors for mild steel in 1.0 M HCl medium: combining experimental and computational approaches

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 141292 - 141292

Опубликована: Янв. 1, 2025

Язык: Английский

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Environmentally Sustainable Approach of Corrosion Inhibition of Mild Steel in 1 N HCl and 1 N H₂SO₄ via Antihistamine Loratadine (LT) and Its Amine Derivatives: Computational and Experimental Analysis

ACS Omega, Год журнала: 2025, Номер 10(6), С. 5332 - 5350

Опубликована: Фев. 4, 2025

The efficacy of pharmaceuticals in mitigating corrosion on metallic substrates has led to the development a new class inhibitors that are economically efficient and offer significant environmental benefits. In present study, for anticorrosion action loratadine (LT), 4-(8-chloro-5,6-dihydro-11H-benzo [5,6] cyclohepta[1,2-b] pyridin-11-ylidene)-1-piperidinecarboxylic acid ethyl ester its amine derivatives (LT1, LT2, LT3), theoretical study using DFT was conducted elucidate molecular interactions complex formation mechanisms between these mild steel. ΔE values studied inhibitors-2.17 eV 3.904 (LT1), 3.906 (LT2), 3.85 (LT3)-indicate LT inhibitor shows greater reactivity compared other derivatives, particularly terms electron donation metal substrate. After that, inhibitory parent molecule examined steel substrate medium 1 N hydrochloric sulfuric found have an efficiency 98.52 80.58%, respectively, (308 K 100 ppm concentration) deliberated through electrochemical techniques (PDP EIS) gravimetric technique. reduction Cdl from 684.06 43.15 μF/cm2 HCl 693.41 83.91 H2SO4 indicates adsorption process which molecules displace water adsorbed substrate, creating barrier prevents corrosive damage. surface aligned with Langmuir isotherm Gibbs-free energy -51 kJ/mol -49.23 H2SO4. AFM analysis average roughness 16.29 nm 49.23 validated form steel, opposing corrosion. decelerative effect inferred experimental data comply, making them credible inhibitors.

Язык: Английский

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Algae-based corrosion inhibitors as innovative approaches to corrosion prevention: A review

Algal Research, Год журнала: 2025, Номер unknown, С. 104071 - 104071

Опубликована: Апрель 1, 2025

Язык: Английский

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Novel organoselenides as efficient corrosion inhibitors for N80 steel in a 3.5 wt% sodium chloride solution

Inorganic Chemistry Communications, Год журнала: 2024, Номер unknown, С. 113632 - 113632

Опубликована: Ноя. 1, 2024

Язык: Английский

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Synthesis, structural characterization, thermal analysis and anticorrosion properties of novel AZO-based imidazo[1,2-a]pyridine derivatives: Experimental study and theoretical approaches

Inorganic Chemistry Communications, Год журнала: 2024, Номер 170, С. 113273 - 113273

Опубликована: Окт. 5, 2024

Язык: Английский

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A study on indolo[3,2,1-jk]carbazole donor-based dye-sensitized solar cells and effects from addition of auxiliary donors

Physical Chemistry Chemical Physics, Год журнала: 2025, Номер unknown

Опубликована: Янв. 1, 2025

Density functional theory has been employed to study indolo[3,2,1-jk]carbazole donor-based dyes, incorporating one and two units of 2,4-dimethoxybenzene auxiliary donors. Electrostatic potential analysis highlights the dye with donor (D2) as having highest charge-donating capability. Structural shows that donors enhance planarity, reduce steric hindrance, improve π-conjugation. Highest occupied molecular orbital (-6.025 -5.660 eV) lowest unoccupied (-2.927 -2.844 all dyes support efficient electron injection into semiconductor regeneration process. Auxiliary chemical reactivity parameters, improving suitability these for dye-sensitized solar cells (DSSCs). Inclusion extra reduces excitonic binding energy, minimizing recombination losses, increases polarization, enhancing charge efficiency. Additional analyses explored properties such separation, transfer length, transition density matrix non-covalent interactions. All exhibit strong absorption (410-440 nm) in visible region, confirming their applicability DSSCs, while emission spectra provide insights fluorescence lifetimes. D2 demonstrates improved performance specific properties. However, D3, donors, achieves best overall balance across other computed parameters. Indeed, inclusion induces significant changes may be considered a valuable strategy designing DSSCs.

Язык: Английский

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Corrosion resistance of mild steel under acidic conditions using iodine nitrotetrazolium violet: Experimental and theoretical research

Progress in Organic Coatings, Год журнала: 2025, Номер 201, С. 109136 - 109136

Опубликована: Фев. 10, 2025

Язык: Английский

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Theoretical studies of S-functionalized Ti2CS2 MXenes to control oxidation in the marine environment

Journal of environmental chemical engineering, Год журнала: 2025, Номер unknown, С. 115767 - 115767

Опубликована: Фев. 1, 2025

Язык: Английский

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