[HTML][HTML] Impact of inhibition mechanisms, automation, and computational models on the discovery of organic corrosion inhibitors

DA Winkler, AE Hughes, C Özkan, A Mol… - Progress in Materials …, 2024 - Elsevier
The targeted removal of efficient but toxic corrosion inhibitors based on hexavalent
chromium has provided an impetus for discovery of new, more benign organic compounds …

Isatin as a new core in the development of corrosion inhibitors: A comprehensive review

DK Verma, R Sahu, E Berdimurodov, C Verma… - Journal of Molecular …, 2023 - Elsevier
The functioning of organic compounds, especially aromatic heterocyclic compounds, is the
most effective and economical method of corrosion inhibition of metallic materials such as …

Chemistry of the interaction between Imidazole derivatives as corrosion inhibitors molecules and copper/brass/zinc surfaces: A DFT, reactive and classical molecular …

A El-Asri, A Jmiai, H Bourzi, Y Lin, S El Issami - Surfaces and Interfaces, 2024 - Elsevier
In the present research, we explored the corrosion inhibition mechanisms on metals and
alloys by imidazole, methylimidazole, and benzimidazole applying density functional theory …

Computational DFT analysis and molecular modeling on imidazole derivatives used as corrosion inhibitors for aluminum in acidic media

S Bousba, H Allal, M Damous, S Maza - Computational and Theoretical …, 2023 - Elsevier
The corrosion inhibiting effect of imidazole derivatives on aluminum was studied using
density functional theory (DFT) calculations to assess the relationship between molecular …

Effect of indole-2-carboxylic acid on the self-corrosion and discharge activity of aluminum alloy anode in alkaline al–air battery

L Guo, Y Huang, AG Ritacca, K Wang, I Ritacco, Y Tan… - Molecules, 2023 - mdpi.com
Al–air battery has been regarded as a promising new energy source. However, the self-
corrosion of aluminum anode leads to a loss of battery capacity and a decrease in battery …

Adsorption, electrochemical behavior, and theoretical studies for copper corrosion inhibition in 1 M nitric acid medium using triazine derivatives

K Shalabi, E Abdel-Galil, AH El-Askalany… - Journal of Molecular …, 2022 - Elsevier
This study evaluated, the corrosion inhibition behavior of some triazine derivatives, including
2, 4-diphenyl-6-((1E)-1-(4-phenyl-2-(phenyldiazenyl) tetraaz-3-en-1-ylidene) ethyl)-2, 3, 4, 5 …

Mild steel corrosion inhibition comparison between indole-5-carboxylic acid and benzofuran-5-carboxylic acid: An integrated experimental and theoretical study

BTD My, D Tuan, DQ Huong - Journal of Molecular Structure, 2024 - Elsevier
Corrosion inhibition capabilities of Indole-5-carboxylic acid (IC) and Benzofuran-5-
carboxylic acid (BC) on mild steel have been comprehensively investigated using various …

DFT studies on structure, electronics, bonding nature, NBO analysis, thermodynamic properties, molecular docking, and MM-GBSA evaluation of 4-methyl-3-[2-(4 …

EI Edache, A Uzairu, PA Mamza… - Journal of Umm Al-Qura …, 2024 - Springer
A calculation analysis on the molecular structure and energy of 4-methyl-3-[2-(4-nitrophenyl)-
1, 3-dioxo-2, 3-dihydro-1 H-isoindole-5-amido] benzoic acid (COD30) is carried out with the …

Molecular insights into the anti-spoilage effect of salicylic acid in Favorita potato processing

W Wang, L Hong, Z Shen, M Zheng, H Meng, T Ye… - Food Chemistry, 2024 - Elsevier
Salicylic acid is a commonly used anti-spoilage agent to prevent browning and quality
degradation during potato processing, yet its precise mechanism remains unclear. This …

Sustainable corrosion inhibition: maceration of green tea waste for improved performance—an electrochemical and theoretical exploration

I Bouhouche, K Bouiti, A Chraka, A El Hamil… - Journal of Bio-and Tribo …, 2024 - Springer
The investigation deals the potential of hydro-ethanolic extracts from green tea waste as
C38 inhibitors in a hydrochloride environment. This research focuses on both cold and hot …