Institutional Repository of Key Laboratory of Marine Environmental Corrosion and Bio-fouling, IOCAS
| Experimental and quantum chemical studies on two triazole derivatives as corrosion inhibitors for mild steel in acid media | |
| Li, W.1; Hu, L.2; Tao, Z.2; Tian, H.1; Hou, B.1; Li, W (reprint author), Chinese Acad Sci, Inst Oceanol, Key Lab Corros Sci, Qingdao 266071, Shandong, Peoples R China | |
| 2011-11-01 | |
| 发表期刊 | MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION
 |
| ISSN | 0947-5117 |
| 卷号 | 62期号:11页码:1042-1050 |
| 文章类型 | Article |
| 摘要 | Two triazole derivatives [1-phenyl-2-(5-(1,2,4) triazol-1-ylmethyl-(1,3,4) oxadizaol-2-ylsulphanyl)-ethanone (PTOE) and 2-(4-tert-butyl-benzylsulphanyl)-5-(1,2,4) triazol-1-ylmethyl-(1,3,4) oxadiazole (TBTO)] were synthesized as new corrosion inhibitors for the corrosion of mild steel in 1 M hydrochloric acid solutions. The inhibiting efficiency of the different inhibitors was evaluated by means of weight loss and electrochemical techniques such as electrochemical impedance spectroscopy (EIS) and polarization curves. The electrochemical investigation results indicate that these compounds act as mixed-type inhibitors retarding the anodic and cathodic corrosion reactions and do not change the mechanism of either hydrogen evolution reaction or mild steel dissolution. The studied compounds followed the Langmuir adsorption isotherm, and the thermodynamic parameters were determined and discussed. The effect of molecular structure on the inhibition efficiency has been investigated with ab initio calculations. The electronic properties such as highest occupied molecular orbital (HOMO) energy level, lowest unoccupied molecular orbital (LUMO) energy level, dipole moment (mu) and molecular orbital densities were calculated.; Two triazole derivatives [1-phenyl-2-(5-(1,2,4) triazol-1-ylmethyl-(1,3,4) oxadizaol-2-ylsulphanyl)-ethanone (PTOE) and 2-(4-tert-butyl-benzylsulphanyl)-5-(1,2,4) triazol-1-ylmethyl-(1,3,4) oxadiazole (TBTO)] were synthesized as new corrosion inhibitors for the corrosion of mild steel in 1 M hydrochloric acid solutions. The inhibiting efficiency of the different inhibitors was evaluated by means of weight loss and electrochemical techniques such as electrochemical impedance spectroscopy (EIS) and polarization curves. The electrochemical investigation results indicate that these compounds act as mixed-type inhibitors retarding the anodic and cathodic corrosion reactions and do not change the mechanism of either hydrogen evolution reaction or mild steel dissolution. The studied compounds followed the Langmuir adsorption isotherm, and the thermodynamic parameters were determined and discussed. The effect of molecular structure on the inhibition efficiency has been investigated with ab initio calculations. The electronic properties such as highest occupied molecular orbital (HOMO) energy level, lowest unoccupied molecular orbital (LUMO) energy level, dipole moment (mu) and molecular orbital densities were calculated. |
| 学科领域 | Materials Science ; Metallurgy & Metallurgical Engineering |
| DOI | 10.1002/maco.201005965 |
| URL | 查看原文 |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000297743100006 |
| 引用统计 | |
| 文献类型 | 期刊论文 |
| 条目标识符 | http://ir.qdio.ac.cn/handle/337002/11443 |
| 专题 | 海洋环境腐蚀与生物污损重点实验室 |
| 通讯作者 | Li, W (reprint author), Chinese Acad Sci, Inst Oceanol, Key Lab Corros Sci, Qingdao 266071, Shandong, Peoples R China |
| 作者单位 | 1.Chinese Acad Sci, Inst Oceanol, Key Lab Corros Sci, Qingdao 266071, Shandong, Peoples R China 2.Chongqing Univ, Coll Chem & Chem Engn, Chongqing 400044, Peoples R China |
| 第一作者单位 | 中国科学院海洋研究所 |
| 推荐引用方式 GB/T 7714 | Li, W.,Hu, L.,Tao, Z.,et al. Experimental and quantum chemical studies on two triazole derivatives as corrosion inhibitors for mild steel in acid media[J]. MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION,2011,62(11):1042-1050. |
| APA | Li, W.,Hu, L.,Tao, Z.,Tian, H.,Hou, B.,&Li, W .(2011).Experimental and quantum chemical studies on two triazole derivatives as corrosion inhibitors for mild steel in acid media.MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION,62(11),1042-1050. |
| MLA | Li, W.,et al."Experimental and quantum chemical studies on two triazole derivatives as corrosion inhibitors for mild steel in acid media".MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION 62.11(2011):1042-1050. |
| 条目包含的文件 | ||||||
| 文件名称/大小 | 文献类型 | 版本类型 | 开放类型 | 使用许可 | ||
| Experimental and qua（993KB） | 限制开放 | -- | 浏览 | |||
| 个性服务 |
| 推荐该条目 |
| 保存到收藏夹 |
| 查看访问统计 |
| 导出为Endnote文件 |
| 谷歌学术 |
| 谷歌学术中相似的文章 |
| [Li, W.]的文章 |
| [Hu, L.]的文章 |
| [Tao, Z.]的文章 |
| 百度学术 |
| 百度学术中相似的文章 |
| [Li, W.]的文章 |
| [Hu, L.]的文章 |
| [Tao, Z.]的文章 |
| 必应学术 |
| 必应学术中相似的文章 |
| [Li, W.]的文章 |
| [Hu, L.]的文章 |
| [Tao, Z.]的文章 |
| 相关权益政策 |
| 暂无数据 |
| 收藏/分享 |
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。
修改评论