{"title":"一种新型咪唑基缓蚀剂对酸性环境下Q235碳钢的缓蚀效果","authors":"Ye Wan, Ning Jiao, Jiahui Lin","doi":"10.1016/j.cplett.2025.142413","DOIUrl":null,"url":null,"abstract":"<div><div>Steel corrosion in the acidic environments poses considerable economic losses and waste of resources. A novel imidazole-based inhibitor was synthesized, and its anti-corrosion performance on Q235 steel were evaluated in 1 M HCl solution. The results of electrochemical impedance spectroscopy and dynamic potential polarization showed that the inhibition efficiencies were more than 97.9 % when the concentration of the IM-M was 300 mg/L. Density functional theory identified the active sites sitting on the imidazole rings and hydrophilic groups of the inhibitor. Molecular dynamics revealed adsorption promotion by the active site preference and the alkyl chain hydrophobicity.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"879 ","pages":"Article 142413"},"PeriodicalIF":3.1000,"publicationDate":"2025-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Inhibitor efficiency of a novel imidazole-based inhibitor for Q235 carbon steel exposed to acidic environments\",\"authors\":\"Ye Wan, Ning Jiao, Jiahui Lin\",\"doi\":\"10.1016/j.cplett.2025.142413\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Steel corrosion in the acidic environments poses considerable economic losses and waste of resources. A novel imidazole-based inhibitor was synthesized, and its anti-corrosion performance on Q235 steel were evaluated in 1 M HCl solution. The results of electrochemical impedance spectroscopy and dynamic potential polarization showed that the inhibition efficiencies were more than 97.9 % when the concentration of the IM-M was 300 mg/L. Density functional theory identified the active sites sitting on the imidazole rings and hydrophilic groups of the inhibitor. Molecular dynamics revealed adsorption promotion by the active site preference and the alkyl chain hydrophobicity.</div></div>\",\"PeriodicalId\":273,\"journal\":{\"name\":\"Chemical Physics Letters\",\"volume\":\"879 \",\"pages\":\"Article 142413\"},\"PeriodicalIF\":3.1000,\"publicationDate\":\"2025-09-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemical Physics Letters\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S000926142500555X\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Physics Letters","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S000926142500555X","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Inhibitor efficiency of a novel imidazole-based inhibitor for Q235 carbon steel exposed to acidic environments
Steel corrosion in the acidic environments poses considerable economic losses and waste of resources. A novel imidazole-based inhibitor was synthesized, and its anti-corrosion performance on Q235 steel were evaluated in 1 M HCl solution. The results of electrochemical impedance spectroscopy and dynamic potential polarization showed that the inhibition efficiencies were more than 97.9 % when the concentration of the IM-M was 300 mg/L. Density functional theory identified the active sites sitting on the imidazole rings and hydrophilic groups of the inhibitor. Molecular dynamics revealed adsorption promotion by the active site preference and the alkyl chain hydrophobicity.
期刊介绍:
Chemical Physics Letters has an open access mirror journal, Chemical Physics Letters: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review.
Chemical Physics Letters publishes brief reports on molecules, interfaces, condensed phases, nanomaterials and nanostructures, polymers, biomolecular systems, and energy conversion and storage.
Criteria for publication are quality, urgency and impact. Further, experimental results reported in the journal have direct relevance for theory, and theoretical developments or non-routine computations relate directly to experiment. Manuscripts must satisfy these criteria and should not be minor extensions of previous work.