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Corrosion inhibition of a novel antihistamine-based compound for mild steel in hydrochloric acid solution: experimental and computational studies
Focused on the assessment of the diphenhydramine hydrochloride (DPH) capabilities as an alternative to conventional and harmful industrial corrosion inhibitors, electrochemical techniques were employed. The optimum concentration of 1000 ppm was determined by molecular simulation and validated throug...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9352695/ https://www.ncbi.nlm.nih.gov/pubmed/35927311 http://dx.doi.org/10.1038/s41598-022-17589-y |
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author | Ghaderi, Mohammad Ramazani S. A., Ahmad Kordzadeh, Azadeh Mahdavian, Mohammad Alibakhshi, Eiman Ghaderi, Arash |
author_facet | Ghaderi, Mohammad Ramazani S. A., Ahmad Kordzadeh, Azadeh Mahdavian, Mohammad Alibakhshi, Eiman Ghaderi, Arash |
author_sort | Ghaderi, Mohammad |
collection | PubMed |
description | Focused on the assessment of the diphenhydramine hydrochloride (DPH) capabilities as an alternative to conventional and harmful industrial corrosion inhibitors, electrochemical techniques were employed. The optimum concentration of 1000 ppm was determined by molecular simulation and validated through electrochemical experiments. The results acquired from the electrochemical impedance spectroscopy (EIS) study showed that DPH at a concentration of 1000 ppm has a corrosion efficiency of 91.43% after 6 h immersion. The DPH molecules' orientation on the surface was assessed based on EIS predicting horizontal adsorption on the surface. Molecular simulations were done to explore the adsorption mechanism of DPH. The DPH molecules' orientation on the surface was also assessed based on computational studies confirming the horizontal adsorption predicted by EIS. |
format | Online Article Text |
id | pubmed-9352695 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-93526952022-08-06 Corrosion inhibition of a novel antihistamine-based compound for mild steel in hydrochloric acid solution: experimental and computational studies Ghaderi, Mohammad Ramazani S. A., Ahmad Kordzadeh, Azadeh Mahdavian, Mohammad Alibakhshi, Eiman Ghaderi, Arash Sci Rep Article Focused on the assessment of the diphenhydramine hydrochloride (DPH) capabilities as an alternative to conventional and harmful industrial corrosion inhibitors, electrochemical techniques were employed. The optimum concentration of 1000 ppm was determined by molecular simulation and validated through electrochemical experiments. The results acquired from the electrochemical impedance spectroscopy (EIS) study showed that DPH at a concentration of 1000 ppm has a corrosion efficiency of 91.43% after 6 h immersion. The DPH molecules' orientation on the surface was assessed based on EIS predicting horizontal adsorption on the surface. Molecular simulations were done to explore the adsorption mechanism of DPH. The DPH molecules' orientation on the surface was also assessed based on computational studies confirming the horizontal adsorption predicted by EIS. Nature Publishing Group UK 2022-08-04 /pmc/articles/PMC9352695/ /pubmed/35927311 http://dx.doi.org/10.1038/s41598-022-17589-y Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . |
spellingShingle | Article Ghaderi, Mohammad Ramazani S. A., Ahmad Kordzadeh, Azadeh Mahdavian, Mohammad Alibakhshi, Eiman Ghaderi, Arash Corrosion inhibition of a novel antihistamine-based compound for mild steel in hydrochloric acid solution: experimental and computational studies |
title | Corrosion inhibition of a novel antihistamine-based compound for mild steel in hydrochloric acid solution: experimental and computational studies |
title_full | Corrosion inhibition of a novel antihistamine-based compound for mild steel in hydrochloric acid solution: experimental and computational studies |
title_fullStr | Corrosion inhibition of a novel antihistamine-based compound for mild steel in hydrochloric acid solution: experimental and computational studies |
title_full_unstemmed | Corrosion inhibition of a novel antihistamine-based compound for mild steel in hydrochloric acid solution: experimental and computational studies |
title_short | Corrosion inhibition of a novel antihistamine-based compound for mild steel in hydrochloric acid solution: experimental and computational studies |
title_sort | corrosion inhibition of a novel antihistamine-based compound for mild steel in hydrochloric acid solution: experimental and computational studies |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9352695/ https://www.ncbi.nlm.nih.gov/pubmed/35927311 http://dx.doi.org/10.1038/s41598-022-17589-y |
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