Biomolecules-modified carbon dots for enhanced surface and interface properties and sustainable corrosion protection: Experimental and computational studies DOI
Ruby Aslam, Jeenat Aslam, Qishan Wang

et al.

Journal of Industrial and Engineering Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: April 1, 2025

Language: Английский

Computational Analyses of Peganum harmala Alkaloids as Green Corrosion Inhibitors on Fe(110) DOI
Hoda Hamidi, Fazel Shojaei, Hossein Eslami

et al.

Langmuir, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 27, 2025

One of the successful techniques developed for inhibition metal corrosion is utilization phytochemicals from plant extracts as inhibitors. Theoretical studies are utilized to predict how organic components behave on surfaces and can pave way development synthesis innovative, efficient However, atomic-level insights into mechanisms these green still needed. In this paper, interactions three active found in aqueous Peganum harmala extract (harmol, vasicinone, harmalol) with Fe(110) surface theoretically investigated using density functional theory (DFT) atomistic molecular dynamics (MD) simulations. Several analyses quantities related adsorption, such adsorption energy, partial states, Bader charge, charge difference, electron localization function, described detail. Both DFT calculations MD simulations reveal that molecules favor a lateral configuration, π-back-donation being dominant mechanism their onto Fe surface. The results indicate polycyclic heteroaromatic compounds significantly affect This highlights fact effectiveness inhibitors closely tied structure.

Language: Английский

Citations

1
Synthesis of novel thiazole derivatives and their assessment as efficient corrosion inhibitors on mild steel in acidic medium DOI

Rashmi Sehrawat,

Sidhant Yadav,

Rashmi Pundeer

et al.

Progress in Organic Coatings, Journal Year: 2025, Volume and Issue: 203, P. 109156 - 109156

Published: Feb. 25, 2025

Language: Английский

Citations

1
The inhibitory effect of caffeic acid on localized corrosion of LAZ931 Mg alloy DOI
Di Mei,

Yishun Tian,

Shenghua Mao

et al.

Corrosion Science, Journal Year: 2025, Volume and Issue: unknown, P. 112949 - 112949

Published: April 1, 2025

Language: Английский

Citations

1
State-of-the-art progress on artificial intelligence and machine learning in accessing molecular coordination and adsorption of corrosion inhibitors DOI
Taiwo W. Quadri, Ekemini D. Akpan, Saheed E. Elugoke

et al.

Applied Physics Reviews, Journal Year: 2025, Volume and Issue: 12(1)

Published: Jan. 6, 2025

Artificial intelligence (AI) and machine learning (ML) have attracted the interest of research community in recent years. ML has found applications various areas, especially where relevant data that could be used for algorithm training retraining are available. In this review article, been discussed relation to its corrosion science, monitoring control. tools techniques, structure modeling methods, were thoroughly discussed. Furthermore, detailed inhibitor design/modeling coupled with associated limitations future perspectives reported.

Language: Английский

Citations

0
Exploring Green Inhibitors from Microbes and Plants: Current Trends and Future Perspectives in Sustainable Approach DOI
Priya Gautam,

Saurav Saurav,

Jata Shankar

et al.

Journal of Bio- and Tribo-Corrosion, Journal Year: 2025, Volume and Issue: 11(2)

Published: March 12, 2025

Language: Английский

Citations

0
An efficient screening of dissolution modulators of Mg alloys: Combining high-throughput multi-well exposure with topographical quantification of volume loss and pitting corrosion DOI Creative Commons

Ci Song,

Bahram Vaghefinazari, Timo Wagner

et al.

Corrosion Science, Journal Year: 2025, Volume and Issue: unknown, P. 112903 - 112903

Published: March 1, 2025

Language: Английский

Citations

0
Synergistic inhibition effect of fluoride and caffeiate on LAZ931 Mg alloy corrosion DOI Creative Commons

Yishun Tian,

Ting Fai Kong,

Shenghua Mao

et al.

Journal of Magnesium and Alloys, Journal Year: 2025, Volume and Issue: unknown

Published: April 1, 2025

Language: Английский

Citations

0
Advanced synthesis and multifaceted characterization of a 4,4-diaminodiphenylmethane-melamine-formaldehyde terpolymer: anti-corrosion performance and antimicrobial potential in 1 M hydrochloric acid DOI Creative Commons

Rashmi Sehrawat,

Priya Vashishth, Neera Raghav

et al.

RSC Advances, Journal Year: 2025, Volume and Issue: 15(14), P. 11098 - 11114

Published: Jan. 1, 2025

Herein, a 4,4-diaminodiphenylmethane-melamine-formaldehyde (DMF) terpolymer was synthesized and characterized to investigate its anti-corrosion properties for mild steel in 1 M hydrochloric acid electrolyte.

Language: Английский

Citations

0
Biomolecules-modified carbon dots for enhanced surface and interface properties and sustainable corrosion protection: Experimental and computational studies DOI
Ruby Aslam, Jeenat Aslam, Qishan Wang

et al.

Journal of Industrial and Engineering Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: April 1, 2025

Language: Английский

Citations

0