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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
Li, Weihua; He, Qiao; Pei, Changling; Hou, Baorong
2007-06-30
Source PublicationELECTROCHIMICA ACTA
ISSN0013-4686
Volume52Issue:22Pages:6386-6394
SubtypeArticle
AbstractThree 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.
KeywordTriazole Derivatives Polarization Curves Eis Langmuir Adsorption Isotherm Quantum Chemical Calculations
Subject AreaElectrochemistry
DOI10.1016/j.electacta.2007.04.077
URL查看原文
Indexed BySCI
Language英语
WOS IDWOS:000247834800011
Citation statistics
Cited Times:260[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.qdio.ac.cn/handle/337002/5166
Collection海洋环境腐蚀与与生物污损重点实验室
Affiliation1.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
Recommended Citation
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.
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