Experimental and quantum chemical studies on two triazole derivatives as corrosion inhibitors for mild steel in acid media
文献类型：期刊论文
| 作者 | 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 |
| 刊名 | MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION
 |
| 出版日期 | 2011-11-01 |
| 卷号 | 62期号:11页码:1042-1050 |
| ISSN号 | 0947-5117 |
| DOI | 10.1002/maco.201005965 |
| 文献子类 | Article |
| 英文摘要 | 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. |
| 学科主题 | Materials Science ; Metallurgy & Metallurgical Engineering |
| URL标识 | 查看原文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000297743100006 |
| 公开日期 | 2012-07-03 |
| 源URL | [http://ir.qdio.ac.cn/handle/337002/11444]  |
| 专题 | 海洋研究所_海洋腐蚀与防护研究发展中心 |
| 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 |
| 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. |
入库方式： OAI收割
来源：海洋研究所
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