Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | 이한승 | - |
dc.date.accessioned | 2024-05-14T02:22:27Z | - |
dc.date.available | 2024-05-14T02:22:27Z | - |
dc.date.issued | 2023-06 | - |
dc.identifier.citation | ARABIAN JOURNAL OF CHEMISTRY, v. 16, NO 6, Artocle No. 104711, Page. 1-17 | en_US |
dc.identifier.issn | 1878-5352 | en_US |
dc.identifier.issn | 1878-5379 | en_US |
dc.identifier.uri | https://information.hanyang.ac.kr/#/eds/detail?an=000992037800001&dbId=edswsc | en_US |
dc.identifier.uri | https://repository.hanyang.ac.kr/handle/20.500.11754/190283 | - |
dc.description.abstract | In the present work, a new hydrazone compound, namely N'-[(Z)-(4-chlorophenyl)methy lidene]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetohydrazide, noted HTH, was selected to protect carbon steel against corrosion in 1.0 mol/L HCl. Different chemical, electrochemical, and surface characterization techniques such as scanning electron microscope coupled with X-ray energy disper-sion (SEM/EDX) were used to investigate the corrosion inhibition performance. Electrochemical data showed that the effectiveness of the inhibitor improved with increasing concentration, reaching 98% at the optimal concentration of 10-3 mol/L. The results of potentiodynamic polarization mea-surements showed that hydrazone acted as a mixed-type inhibitor. The EIS results showed an increase in polarization resistance accompanied by a noticeable decrease in Ceff,dl values. In the tem-perature range of 303 K-333 K, hydrazone protected carbon steel by 89%, showing high resistance to temperature effect. The analysis of the steel surface by SEM/EDX confirmed that the effective-ness of the hydrazone was attributed to the formation of a protective layer on the surface of the metal. Quantum chemical calculations revealed insights into the chemical reactivity of the tested hydrazone while first-principles density functional theory (DFT) and molecular dynamics (MD) simulation supported the experimental conclusions and showed outstanding adsorption ability of HTH on the Fe(1 10) surface. First-principles DFT simulations showed that the HTH molecule was more stable in a parallel adsorption mode. (c) 2023 Published by Elsevier B.V. on behalf of King Saud University. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/). | en_US |
dc.description.sponsorship | This work was supported by Researchers Supporting Project Number (RSP2023R100), King Saud University, Riyadh, Saudi Arabia. This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (No. NRF-2018R1A5A1025137). The authors would like to thank the Deanship of Scientific Research at Umm Al-Qura University for supporting this work by Grant Code: 22UQU4331201DSR01. | en_US |
dc.language | en_US | en_US |
dc.publisher | ELSEVIER | en_US |
dc.relation.ispartofseries | v. 16, NO 6, Artocle No. 104711;1-17 | - |
dc.subject | Corrosion inhibitor | en_US |
dc.subject | Hydrazone | en_US |
dc.subject | Carbon steel | en_US |
dc.subject | Density Functional Theory | en_US |
dc.subject | Molecular dynamics | en_US |
dc.title | Performance evaluation and assessment of the corrosion inhibition mechanism of carbon steel in HCl medium by a new hydrazone compound: Insights from experimental, DFT and first-principles DFT simulations | en_US |
dc.type | Article | en_US |
dc.relation.no | 6 | - |
dc.relation.volume | 16 | - |
dc.identifier.doi | 10.1016/j.arabjc.2023.104711 | en_US |
dc.relation.page | 1-18 | - |
dc.relation.journal | ARABIAN JOURNAL OF CHEMISTRY | - |
dc.contributor.googleauthor | En-Nylly, M. | - |
dc.contributor.googleauthor | Skal, S. | - |
dc.contributor.googleauthor | El aoufir, Y. | - |
dc.contributor.googleauthor | Lgaz, H. | - |
dc.contributor.googleauthor | Adnin, Raihana J. | - |
dc.contributor.googleauthor | Alrashdi, Awad A. | - |
dc.contributor.googleauthor | Bellaouchou, A. | - |
dc.contributor.googleauthor | Al-Hadeethi, M.R. | - |
dc.contributor.googleauthor | Benali, O. | - |
dc.contributor.googleauthor | Lee, H-s. | - |
dc.relation.code | 2023034628 | - |
dc.sector.campus | E | - |
dc.sector.daehak | COLLEGE OF ENGINEERING SCIENCES[E] | - |
dc.sector.department | SCHOOL OF ARCHITECTURE | - |
dc.identifier.pid | ercleehs | - |
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