Unveiling the mechanisms behind high CO2 adsorption by the selection of suitable ionic liquids incorporated into a ZIF-8 metal organic framework: A computational approach

Environmental Research, Год журнала: 2024, Номер 246, С. 118112 - 118112

Опубликована: Янв. 4, 2024

Язык: Английский

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A Novel Coating System Based on Layered Double Hydroxide/HQS Hierarchical Structure for Reliable Protection of Mg Alloy: Electrochemical and Computational Perspectives

Materials, Год журнала: 2024, Номер 17(5), С. 1176 - 1176

Опубликована: Март 2, 2024

Growing research activity on layered double hydroxide (LDH)-based materials for novel applications has been increasing; however, promoting LDH layer growth and examining its morphologies without resorting to extreme pressure conditions remains a challenge. In the present study, we enhance morphology examination conditions. By synthesizing Mg-Al directly plasma electrolytic oxidation (PEO)-treated Mg alloy surfaces pores at ambient pressure, direct synthesis was achieved feasibly autoclave requirements, employing suitable chelating agent. Additionally, enhancing corrosion resistance involved incorporating electron donor–acceptor compounds into protective layer, with 8-Hydroxyquinoline-5-sulfonic acid (HQS) that helps in augmenting through combination of ion-exchange ability organic layer. DFT simulations were used explain mutual interactions system provide theoretical knowledge interfacial process molecular level.

Язык: Английский

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Comprehensive Analysis of a Thiazole-Substituted Corrosion Inhibitor's Impact on N80 Carbon Steel in Acidic Conditions: Integrating Computational Predictions with Experimental Verifications

Materials Chemistry and Physics, Год журнала: 2024, Номер 320, С. 129405 - 129405

Опубликована: Май 2, 2024

Язык: Английский

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Imidazole Derivative for Corrosion Protection: A Comprehensive Theoretical and Experimental Study on Mild Steel in Acidic Environments

Colloids and Surfaces A Physicochemical and Engineering Aspects, Год журнала: 2024, Номер unknown, С. 135376 - 135376

Опубликована: Сен. 1, 2024

Язык: Английский

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Development of anti-corrosive layer on steel alloy using novel synthesized 8-hydroxyquinoline-based inhibitors: Experimental and theoretical approach

Inorganic Chemistry Communications, Год журнала: 2024, Номер 167, С. 112691 - 112691

Опубликована: Июнь 5, 2024

Язык: Английский

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Fabrication of Protective Organic Layer Using Schiff-Base Metal Complex Responsible for Excellent Corrosion Performance: Experimental and Theoretical Perspectives

ACS Omega, Год журнала: 2024, Номер 9(13), С. 15015 - 15029

Опубликована: Март 19, 2024

The effectiveness of a copper(II) complex with Schiff base derived from 2-amino-4-phenyl-5-methylthiazole and salicylaldehyde (APMS) as corrosion inhibitor for XC18 steel in an HCl solution was investigated. Experimental findings indicated slight negative correlation between inhibition efficiencies 1 M temperature but positive both concentration immersion time, respectively. weight loss measurement revealed that APMS achieved maximum rate 92.07% at 303 K. A fitting analysis demonstrated adheres to the Langmuir adsorption isotherm. electrochemical results enhanced inhibitive performance APMS, efficiency increasing concentrations increased, ultimately reaching peak 94.47% 5 × 10–3 mol L–1. Potentiodynamic polarization measurements acted mixed-type without affecting mechanism. Scanning electron microscopy investigations metal surfaces corroborated presence adsorbed organic layer. Advanced theoretical calculations utilizing density functional theory first-principles density-functional tight-binding were conducted gain insights into behavior on surface. derives its advantages crucial inter- intramolecular interactions, resulting formation resilient layer, line experimental findings. It is found APMS-based exhibits significant synergistic effect. current study offers design direction enhancing structural characteristics complexes, laying groundwork multifunctional frameworks minimize rates considerations real-world use cost-efficiency. ability replace harmful, expensive constituents sustainable, cost-effective alternatives represents outcome this study.

Язык: Английский

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Data‐Driven Materials Research and Development for Functional Coatings

Advanced Science, Год журнала: 2024, Номер unknown

Опубликована: Сен. 19, 2024

Abstract Functional coatings, including organic and inorganic play a vital role in various industries by providing protective layer introducing unique functionalities. However, its design often involves time‐consuming experimentation with multiple materials processing parameters. To overcome these limitations, data‐driven approaches are gaining traction science. In this paper, recent advances research development (R&D) for functional highlighting the importance, data sources, working processes, applications of paradigm summarized. It is begun discussing challenges traditional methods, then introduce typical processes. demonstrated how enable identification correlations between input parameters coating performance, thus allowing efficient prediction design. Furthermore, carefully selected case studies presented across diverse that exemplify effectiveness methods accelerating discovery new coatings tailored properties. Finally, emerging directions, involving integrating advanced techniques from different addressed. Overall, review provides an overview R&D shedding light on potential future developments.

Язык: Английский

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Effective multifunctional coatings with polyvinylpyrrolidone-enhanced ZIF-67 and zinc iron layered double hydroxide on microarc oxidation treated AZ31 magnesium alloy

Journal of Magnesium and Alloys, Год журнала: 2024, Номер unknown

Опубликована: Окт. 1, 2024

Язык: Английский

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Amelioration of protective organic layer using acenaphthene-based inhibitor responsible for excellent anti-corrosion performance: Experimental and computational perspectives

Journal of Molecular Structure, Год журнала: 2024, Номер 1315, С. 138861 - 138861

Опубликована: Июнь 4, 2024

Язык: Английский

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Simple and modified chitosan gel beads from a natural source as a bio-sorbent for water defluoridation: Experimental and computational perspectives

Inorganic Chemistry Communications, Год журнала: 2024, Номер 167, С. 112752 - 112752

Опубликована: Июнь 17, 2024

Язык: Английский

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