{"title":"The role of adsorption of aniline trimers on the corrosion inhibition process: a ZINDO/1 study","authors":"L.T. Sein Jr. , Yen Wei , S.A. Jansen","doi":"10.1016/S1089-3156(99)00092-6","DOIUrl":null,"url":null,"abstract":"<div><p><span><span>The semi-empirical ZINDO/1 method is used to calculate the electronic structure and thermodynamic properties of </span>aniline trimers adsorbed onto cluster models of the Al(100) and Fe(100) surfaces. The effects of progressive oxidation and protonation of the trimers on </span>corrosion inhibition are interpreted in terms of these calculations.</p></div>","PeriodicalId":100309,"journal":{"name":"Computational and Theoretical Polymer Science","volume":"11 2","pages":"Pages 83-88"},"PeriodicalIF":0.0000,"publicationDate":"2001-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S1089-3156(99)00092-6","citationCount":"34","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computational and Theoretical Polymer Science","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1089315699000926","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 34
Abstract
The semi-empirical ZINDO/1 method is used to calculate the electronic structure and thermodynamic properties of aniline trimers adsorbed onto cluster models of the Al(100) and Fe(100) surfaces. The effects of progressive oxidation and protonation of the trimers on corrosion inhibition are interpreted in terms of these calculations.
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