Evidence map›Paper›PMID 42120441›Full record

ArticleScientific reports2026

Corrosion inhibition of ductile iron in hydrochloric acid using 5-amino-1,3,4-thiadiazole-2-thiol: electrochemical and computational studies.

Mohamed Helmy, Adham A El-Zomrawy, Awad Sadek Mogoda, Ahmed Nasser, Mamdouh Mahmoud, Tarek A Mohamed

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Article in Scientific reports, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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5 · Who and what money

Authors and funding

6 authors.

Mohamed HelmyChemistry Department, Faculty of Science, Al-Azhar University, Cairo, Egypt.
Adham A El-ZomrawyChemistry Department, Faculty of Science, Al-Azhar University, Cairo, Egypt.
Awad Sadek MogodaChemistry Department, Faculty of Science, Cairo University, Giza, Egypt.
Ahmed NasserThe Higher Institute of Engineering, New Elmarg, El-Qalyubia, Egypt.
Mamdouh MahmoudR&D Labs, Al-Nasr Castings Factory, Giza, Egypt.
Tarek A MohamedChemistry Department, Faculty of Science, Al-Azhar University, Cairo, Egypt. tarek_ama@azhar.edu.eg.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The corrosion inhibition performance of 5-amino-1,3,4-thiadiazole-2-thiol (5ATT) toward ductile iron in 1.0 M HCl solution was systematically investigated using complementary experimental and theoretical approaches, including weight loss measurements, potentiodynamic polarization, electrochemical impedance spectroscopy (EIS), and surface characterization (SEM/EDX), supported by density functional theory (DFT) calculations and Monte Carlo (MC) simulations. The results show that the inhibition efficiency increases markedly with inhibitor concentration, reaching ~ 81%, which indicates effective adsorption of 5ATT molecules on the ductile iron surface. Electrochemical measurements revealed a marked decrease in corrosion current density and a significant increase in charge transfer resistance, confirming the formation of a protective adsorbed film, which was further supported by surface analysis. Importantly, the present study provides a clear correlation between the molecular electronic properties and adsorption behavior of 5-ATT and its experimentally observed inhibition performance. Adsorption studies indicated strong interaction between the inhibitor molecules and the metal surface, while thermodynamic parameters suggested a mixed physisorption-chemisorption mechanism. Furthermore, theoretical calculations supported the experimental findings, demonstrating that both the electronic structure and adsorption configuration of 5-ATT play a key role in its corrosion inhibition efficiency. Therefore, 5-ATT exhibits high inhibition performance and strong adsorption capability, highlighting its potential as an effective corrosion inhibitor for ductile iron in acidic environments.

Indexed as

Adsorption isothermsCorrosion inhibitionDFTDuctile ironElectrochemical techniquesMonte Carlo simulation

Identifiers

PMID42120441
PMCPMC13168307

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