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Experimental and theoretical investigation of the adsorption behaviour of new triazole derivatives as inhibitors for mild steel corrosion in acid media
文献类型：期刊论文
| 作者 | Li, Weihua; He, Qiao; Pei, Changling; Hou, Baorong |
| 刊名 | ELECTROCHIMICA ACTA
 |
| 出版日期 | 2007-06-30 |
| 卷号 | 52期号:22页码:6386-6394 |
| 关键词 | Triazole Derivatives Polarization Curves Eis Langmuir Adsorption Isotherm Quantum Chemical Calculations |
| ISSN号 | 0013-4686 |
| DOI | 10.1016/j.electacta.2007.04.077 |
| 文献子类 | Article |
| 英文摘要 | Three triazole derivatives (4-chloro-acetophenone-O-1'-(1',3',4'-triazolyl)-metheneoxime (CATM), 4-methoxyl-acetophenone-O-1'-(1',3',4'-triazolyl)-metheneoxime (MATM) and 4-fluoro-acetophenone-O-1'-(1',3',4'-triazolyl)-metheneoxime (FATM)) have been synthesized as new inhibitors for the corrosion of mild steel in acid media. The inhibition efficiencies of these inhibitors were evaluated by means of weight loss and electrochemical techniques such as electrochemical impedance spectroscopy (EIS) and polarization curves. Then the surface morphology was studied by scanning electron microscopy (SEM). The adsorption of triazole derivatives is found to obey Langmuir adsorption isotherm, and the thermodynamic parameters were determined and discussed. The relationship between molecular structure of these compounds and their inhibition efficiency has been investigated by ab initio quantum chemical calculations. The electronic properties such as the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO) energy levels, energy gap (LUMO-HOMO), dipole moment and molecular orbital densities were computed. (c) 2007 Elsevier Ltd. All rights reserved.; Three triazole derivatives (4-chloro-acetophenone-O-1'-(1',3',4'-triazolyl)-metheneoxime (CATM), 4-methoxyl-acetophenone-O-1'-(1',3',4'-triazolyl)-metheneoxime (MATM) and 4-fluoro-acetophenone-O-1'-(1',3',4'-triazolyl)-metheneoxime (FATM)) have been synthesized as new inhibitors for the corrosion of mild steel in acid media. The inhibition efficiencies of these inhibitors were evaluated by means of weight loss and electrochemical techniques such as electrochemical impedance spectroscopy (EIS) and polarization curves. Then the surface morphology was studied by scanning electron microscopy (SEM). The adsorption of triazole derivatives is found to obey Langmuir adsorption isotherm, and the thermodynamic parameters were determined and discussed. The relationship between molecular structure of these compounds and their inhibition efficiency has been investigated by ab initio quantum chemical calculations. The electronic properties such as the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO) energy levels, energy gap (LUMO-HOMO), dipole moment and molecular orbital densities were computed. (c) 2007 Elsevier Ltd. All rights reserved. |
| 学科主题 | Electrochemistry |
| URL标识 | 查看原文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000247834800011 |
| 公开日期 | 2010-12-24 |
| 源URL | [http://ir.qdio.ac.cn/handle/337002/5167]  |
| 专题 | 海洋研究所_海洋腐蚀与防护研究发展中心 |
| 作者单位 | 1.Chinese Acad Sci, Inst Oceanol, Qingdao 266071, Peoples R China 2.Chongqing Univ, Coll Chem & Chem Engn, Chongqing 400044, Peoples R China 3.Qingdao Technol Univ, Sch Civil Engn, Qingdao 266033, Peoples R China |
| 推荐引用方式 GB/T 7714 | Li, Weihua,He, Qiao,Pei, Changling,et al. Experimental and theoretical investigation of the adsorption behaviour of new triazole derivatives as inhibitors for mild steel corrosion in acid media[J]. ELECTROCHIMICA ACTA,2007,52(22):6386-6394. |
| APA | Li, Weihua,He, Qiao,Pei, Changling,&Hou, Baorong.(2007).Experimental and theoretical investigation of the adsorption behaviour of new triazole derivatives as inhibitors for mild steel corrosion in acid media.ELECTROCHIMICA ACTA,52(22),6386-6394. |
| MLA | Li, Weihua,et al."Experimental and theoretical investigation of the adsorption behaviour of new triazole derivatives as inhibitors for mild steel corrosion in acid media".ELECTROCHIMICA ACTA 52.22(2007):6386-6394. |
入库方式： OAI收割
来源：海洋研究所
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