Molecular Interactions and Structural Transformations in Water Complexes with Azoles in Solid Films: IR and DFT Study DOI
Rostislav Kapustin, И. И. Гринвальд, Alina Agrba

et al.

ChemistrySelect, Journal Year: 2024, Volume and Issue: 9(42)

Published: Nov. 1, 2024

Abstract Azoles are widely used as bioactive substances, herbicides, catalysts, corrosion inhibitors, polymeric compositors, organometallic ligands, and optical elements’ components. The interaction with water plays a crucial role in many applications of azoles. objective this study is to observe the molecular structural transformations 1,2‐ 1,3‐diazoles’, 1,2,3‐ 1,2,4‐triazoles’ complexes molecules. We have selected most valuable for application theoretical interest azoles different structures, which allowed us consider basic features their aqueous complexes. IR method allowing fix intermediates solid phase. also employed hybrid B3LYP functional DFT GD3BJ dispersion correction. At cluster formation, hydrogen atom transfer arises, providing labile spatial arrangement system. formation azoles’ hydronium ion having relatively low binding energy allows reshaping complexes’ structure at cluster‐to‐cluster transition. complex accompanied by participation both azole atoms. This provides mobile clusters transition from donor acceptor centers.

Language: Английский

Corrosion and Corrosion Control of the Steel in Acidizing Oil Wells Processes: An Overview of Organic Inhibitors DOI
Zenaa Ibraheem Jasim, Khalid H. Rashid, Anees A. Khadom

et al.

Russian Journal of Applied Chemistry, Journal Year: 2024, Volume and Issue: 97(1), P. 56 - 74

Published: Jan. 1, 2024

Language: Английский

Citations

6
A combined experimental and theoretical study into the effect of new heterocyclic compound containing β-lactam ring as corrosion inhibitor for mild steel in hydrochloric acid DOI Creative Commons
Hamdy H. Hassan, Khalid H. Rashid, Khalida F. Al-Azawi

et al.

Results in Surfaces and Interfaces, Journal Year: 2024, Volume and Issue: unknown, P. 100319 - 100319

Published: Oct. 1, 2024

Language: Английский

Citations

5
Synthesis characterisation and analysis of the corrosion resistance of a new epoxy resin onto mild steel in the presence of hydrochloric acid: practical and theoretical points of view DOI

Abdeslam El Amri,

Mouna Azogagh,

Rania Sayed

et al.

Canadian Metallurgical Quarterly, Journal Year: 2025, Volume and Issue: unknown, P. 1 - 21

Published: Jan. 29, 2025

Language: Английский

Citations

0
Corrosion Inhibition Performance of Biomolecules Isolated from Salsola imbricata for N80 Steel in 15% HCl Acidizing Environment DOI
Savıour A. Umoren, Rami K. Suleiman, Nestor Ankah

et al.

Arabian Journal for Science and Engineering, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 18, 2025

Language: Английский

Citations

0
Development of anti-corrosive layer on steel alloy using quinoline-based inhibitor: Comprehensive experimental, characterization and DFT/DFTB perspectives DOI

Abdeslam El Amri,

Abdelfettah Hmada,

Fatima El hajri

et al.

Materials Today Communications, Journal Year: 2025, Volume and Issue: unknown, P. 112082 - 112082

Published: March 1, 2025

Language: Английский

Citations

0
Assessment of a new benzylidene-based corrosion inhibitor for X60 carbon steel in 1 M HCl medium: Experimental and Computational studies DOI Creative Commons
Nkem B. Iroha, Cordelia U. Dueke‐Eze, Valentine Chikaodili Anadebe

et al.

Results in Surfaces and Interfaces, Journal Year: 2025, Volume and Issue: unknown, P. 100510 - 100510

Published: April 1, 2025

Language: Английский

Citations

0
Amino acid-derived compounds as effective corrosion inhibitors for mild steel in hydrochloric acid: gravimetric, electrochemical and computational studies DOI

Ankita Agarwal,

A. Suresh Kumar,

Tarun Kanti Sarkar

et al.

Materials Today Communications, Journal Year: 2025, Volume and Issue: unknown, P. 112490 - 112490

Published: April 1, 2025

Language: Английский

Citations

0
Inhibitory Effect of Novel Synthesized Imidazolone-Derived Heterocyclic Compounds on Mild Steel Corrosion in Hydrochloric Acid: Electrochemical, Surface Analysis, and Theoretical Studies DOI Creative Commons

S. El Kaouahi,

N. Errahmany,

Abderrazzak El Moutaouakil Ala Allah

et al.

International Journal of Electrochemical Science, Journal Year: 2025, Volume and Issue: unknown, P. 101026 - 101026

Published: April 1, 2025

Language: Английский

Citations

0
Natural Biodegradable Inhibitor to Prevent Corrosion of Low Carbon Steel (LCS) in Multistage Flash Distillation Plant DOI

Nehal A. Barghout,

Murat Yılmaz,

B. A. Abd-El-Nabey

et al.

Journal of Bio- and Tribo-Corrosion, Journal Year: 2025, Volume and Issue: 11(3)

Published: May 2, 2025

Language: Английский

Citations

0
Synthesis and Diagnosis of New Heterocyclic Compound as Corrosion Inhibitor for Mild Steel in Acidic Solution DOI Creative Commons
Hamdy H. Hassan, Khalid H. Rashid, Khalida F. Al-azawi

et al.

Diyala Journal of Engineering Sciences, Journal Year: 2024, Volume and Issue: unknown, P. 180 - 196

Published: Dec. 1, 2024

The detrimental impact of corrosion on industrial metals, especially mild steel under acidic conditions, underscores the need for development effective inhibitors. In present work, a new anticorrosion chemical named 2-(2-anthracen-9-yl)-3-chloro-4-oxoazetidin-1-y1)-1- methyl-1H-imidazol-4(5H)-one (AOMI) was synthesized, identified, and assessed protection low-carbon in one molar hydrochloric acid solution. Experimental procedures included weight loss, electrochemical, surface morphological, FTIR, 1H NMR, hardness measurements, while computational analyses involved quantum calculations. investigation revealed that AOMI significantly reduced rates with maximum inhibition efficiencies 90% at 80 ppm 60 oC. A spontaneous monolayer formed metal surface. adsorption this layer according to Langmuir isotherm. SEM AFM images showed presence protective layer. experimental results were validated by simulations, which bonds

Language: Английский

Citations

3