Toxicity Estimation for New Quinoline Derivatives and Their Excellent Inhibition Performance on Copp

来源 :2018中国(重庆)国际表面工程论坛暨重庆第十四届表面工程技术论坛 | 被引量 : 0次 | 上传用户:liujm1006
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  Toxicity for two quinoline derivatives 6-benzylquinoline(BQ)and 6-(quinolin-6-ylmethyl)benzene-1,2,3,4,5-pentasulfonic acid(QBPA),synthesized in our laboratory,has been investigated by Toxicity Estimation Software Tool(T.E.S.T)and their corrosion inhibition performance for copper in 0.5 M H2SO4 solutions has been studied through electrochemical measurements,morphological characterization and theoretical calculations.The T.E.S.T results demonstrate that BQ and QBPA are environmental friendly inhibitors with very low health and ecological toxicity.Notably,QBPA shows 96.1%inhibition efficiency(by Tafel)at 1 mM concentration.The adsorption of BQ and QBPA obeys Langmuir adsorption isotherm with chemisorption.Molecular dynamic simulation revealed a flat configuration of quinoline ring on copper surface with negative binding energies in a sequence agreed with the experiments,BQ
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