Investigation of the anti-corrosion effects of Azadirachta indica leaf extract on various reinforcement steels in 1 M HCl: Results from electrochemical, DFT and simulation studies

The research explores the efficacy of Azadirachta indica (neem) leaf extract as a green corrosion inhibitor to mitigate corrosion of different steels in 1 M HCl using electrochemical tests - Tafel, Electrochemical impedance spectroscopy (EIS), Linear polarization resistance and Artificial Neural Net...

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Main Authors: E.S. Junaid Ahmed, G. Mohan Ganesh
Format: Article
Language:English
Published: Elsevier 2025-09-01
Series:Results in Engineering
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Online Access:http://www.sciencedirect.com/science/article/pii/S2590123025020201
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author E.S. Junaid Ahmed
G. Mohan Ganesh
author_facet E.S. Junaid Ahmed
G. Mohan Ganesh
author_sort E.S. Junaid Ahmed
collection DOAJ
description The research explores the efficacy of Azadirachta indica (neem) leaf extract as a green corrosion inhibitor to mitigate corrosion of different steels in 1 M HCl using electrochemical tests - Tafel, Electrochemical impedance spectroscopy (EIS), Linear polarization resistance and Artificial Neural Network (ANN). Furthermore, cyclic voltammetry (CV), Electrochemical Noise, surface studies and COMSOL simulations were performed to evaluate the corrosion effect on TMT. The interaction of bioactive phytochemical compounds towards the metal surface was studied via DFT. Through electrochemical results, the leaf extract in increasing concentrations up to optimum (65 ml) was highly effective in reducing corrosion rate (mm/year) for all - CRS (20.192), TMT (23.03), TMX (32.056) and SD (66.357). From Tafel and EIS, the highest inhibition efficiency of 85.1% and 75.74% was achieved. Addition of neem reduced the current noise fluctuations along with a stable baseline formation, indicating reduced corrosion. Through CV, corrosion occurred at a slower rate due to the formation of an oxide layer in the passivation region, and the corresponding current density was found to be much lesser with addition of neem. Compounds having greater reactivity and less stability were primarily responsible for higher inhibition efficiency. Corrosion mechanism, ion movement, and corrosion rate was predicted using COMSOL Multiphysics and ANN. Through the obtained results it can be concluded that, the non-toxic and economical neem extract was suggested to be used as green corrosion inhibitor as a better replacement to traditional inhibitors.
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spelling doaj-art-abff8b73f28949019dcea4bede4fa70b2025-08-20T02:35:22ZengElsevierResults in Engineering2590-12302025-09-012710594810.1016/j.rineng.2025.105948Investigation of the anti-corrosion effects of Azadirachta indica leaf extract on various reinforcement steels in 1 M HCl: Results from electrochemical, DFT and simulation studiesE.S. Junaid Ahmed0G. Mohan Ganesh1Department of Structural and Geotechnical Engineering, School of Civil Engineering, Vellore Institute of Technology (VIT), Vellore 632014, IndiaCorresponding author.; Department of Structural and Geotechnical Engineering, School of Civil Engineering, Vellore Institute of Technology (VIT), Vellore 632014, IndiaThe research explores the efficacy of Azadirachta indica (neem) leaf extract as a green corrosion inhibitor to mitigate corrosion of different steels in 1 M HCl using electrochemical tests - Tafel, Electrochemical impedance spectroscopy (EIS), Linear polarization resistance and Artificial Neural Network (ANN). Furthermore, cyclic voltammetry (CV), Electrochemical Noise, surface studies and COMSOL simulations were performed to evaluate the corrosion effect on TMT. The interaction of bioactive phytochemical compounds towards the metal surface was studied via DFT. Through electrochemical results, the leaf extract in increasing concentrations up to optimum (65 ml) was highly effective in reducing corrosion rate (mm/year) for all - CRS (20.192), TMT (23.03), TMX (32.056) and SD (66.357). From Tafel and EIS, the highest inhibition efficiency of 85.1% and 75.74% was achieved. Addition of neem reduced the current noise fluctuations along with a stable baseline formation, indicating reduced corrosion. Through CV, corrosion occurred at a slower rate due to the formation of an oxide layer in the passivation region, and the corresponding current density was found to be much lesser with addition of neem. Compounds having greater reactivity and less stability were primarily responsible for higher inhibition efficiency. Corrosion mechanism, ion movement, and corrosion rate was predicted using COMSOL Multiphysics and ANN. Through the obtained results it can be concluded that, the non-toxic and economical neem extract was suggested to be used as green corrosion inhibitor as a better replacement to traditional inhibitors.http://www.sciencedirect.com/science/article/pii/S2590123025020201Green corrosion inhibitorEISCOMSOLDFTANN
spellingShingle E.S. Junaid Ahmed
G. Mohan Ganesh
Investigation of the anti-corrosion effects of Azadirachta indica leaf extract on various reinforcement steels in 1 M HCl: Results from electrochemical, DFT and simulation studies
Results in Engineering
Green corrosion inhibitor
EIS
COMSOL
DFT
ANN
title Investigation of the anti-corrosion effects of Azadirachta indica leaf extract on various reinforcement steels in 1 M HCl: Results from electrochemical, DFT and simulation studies
title_full Investigation of the anti-corrosion effects of Azadirachta indica leaf extract on various reinforcement steels in 1 M HCl: Results from electrochemical, DFT and simulation studies
title_fullStr Investigation of the anti-corrosion effects of Azadirachta indica leaf extract on various reinforcement steels in 1 M HCl: Results from electrochemical, DFT and simulation studies
title_full_unstemmed Investigation of the anti-corrosion effects of Azadirachta indica leaf extract on various reinforcement steels in 1 M HCl: Results from electrochemical, DFT and simulation studies
title_short Investigation of the anti-corrosion effects of Azadirachta indica leaf extract on various reinforcement steels in 1 M HCl: Results from electrochemical, DFT and simulation studies
title_sort investigation of the anti corrosion effects of azadirachta indica leaf extract on various reinforcement steels in 1 m hcl results from electrochemical dft and simulation studies
topic Green corrosion inhibitor
EIS
COMSOL
DFT
ANN
url http://www.sciencedirect.com/science/article/pii/S2590123025020201
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AT gmohanganesh investigationoftheanticorrosioneffectsofazadirachtaindicaleafextractonvariousreinforcementsteelsin1mhclresultsfromelectrochemicaldftandsimulationstudies