dc.contributor.author | Zhou, Yang | |
dc.contributor.author | Guo, Lei | |
dc.contributor.author | Zhang, Shengtao | |
dc.contributor.author | Kaya, Savas | |
dc.contributor.author | Luo, Xiaofang | |
dc.contributor.author | Xiang, Bin | |
dc.date.accessioned | 2019-07-27T12:10:23Z | |
dc.date.accessioned | 2019-07-28T09:44:19Z | |
dc.date.available | 2019-07-27T12:10:23Z | |
dc.date.available | 2019-07-28T09:44:19Z | |
dc.date.issued | 2017 | |
dc.identifier.issn | 2046-2069 | |
dc.identifier.uri | https://dx.doi.org/10.1039/c7ra02192e | |
dc.identifier.uri | https://hdl.handle.net/20.500.12418/7022 | |
dc.description | WOS: 000401525500008 | en_US |
dc.description.abstract | The corrosion inhibition performances of four imidazolium-based corrosion inhibitors on mild steel in acidic medium, namely benzimidazole (BI), 2-aminobenzimidazole (ABI), 2-phenylbenzimidazole (PBI), and omeprazole (OP) were investigated in this work. The experimental results confirmed by electrochemical measurements and a scanning electron microscopy study show that OP may exhibit the best inhibitive performance among the four compounds for mild steel in sulfuric acid solution. Furthermore, quantum chemical calculations of density function theory (DFT) and molecular dynamics (MD) simulations were applied to theoretically determine the relationship between molecular structure and inhibition efficiency. OP shows the highest reaction activity among the four molecules. The binding energies of the corrosion inhibitor molecules and iron surface follow the order of OP > PBI > ABI > BI, which agrees well with the experimental findings. | en_US |
dc.description.sponsorship | Natural Science Foundation of China [21376282]; Chongqing Innovation Fund for Graduate Students [CYB16035]; Science and Technology Program of Guizhou Province [QKHJC2016-1149]; Guizhou Provincial Department of Education Foundation [QJHKYZ2016-105]; Research Fund for the Doctoral Program of Tongren University [trxyDH1510] | en_US |
dc.description.sponsorship | This research was supported by the Natural Science Foundation of China (21376282), the Chongqing Innovation Fund for Graduate Students (CYB16035), the Science and Technology Program of Guizhou Province (QKHJC2016-1149), the Guizhou Provincial Department of Education Foundation (QJHKYZ2016-105), and the Research Fund for the Doctoral Program of Tongren University (trxyDH1510). | en_US |
dc.language.iso | eng | en_US |
dc.publisher | ROYAL SOC CHEMISTRY | en_US |
dc.relation.isversionof | 10.1039/c7ra02192e | en_US |
dc.rights | info:eu-repo/semantics/openAccess | en_US |
dc.title | Corrosion control of mild steel in 0.1 M H2SO4 solution by benzimidazole and its derivatives: an experimental and theoretical study | en_US |
dc.type | article | en_US |
dc.relation.journal | RSC ADVANCES | en_US |
dc.contributor.department | [Zhou, Yang -- Zhang, Shengtao -- Luo, Xiaofang -- Xiang, Bin] Chongqing Univ, Sch Chem & Chem Engn, Chongqing 400044, Peoples R China -- [Guo, Lei] Tongren Univ, Sch Mat & Chem Engn, Tongren 554300, Peoples R China -- [Kaya, Savas] Cumhuriyet Univ, Dept Chem, Sci Fac, TR-58140 Sivas, Turkey | en_US |
dc.identifier.volume | 7 | en_US |
dc.identifier.issue | 39 | en_US |
dc.identifier.endpage | 23969 | en_US |
dc.identifier.startpage | 23961 | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |