摘要
通过失重试验、电化学测试以及量子化学计算方法研究了新型杂环噁二唑化合物1-苯基-2-{5-(1,2,4-三氮唑)-1甲基-(1,3,4-噁二唑)-2-硫}-乙酮(PTOE)在0.5 mol/L H2SO4中对Q235钢(碳钢)的缓蚀性能,并用扫描电镜方法观察了碳钢表面的腐蚀形貌。结果表明,PTOE在0.5 mol/L H2SO4中对Q235钢有高达92.7%的缓蚀作用,能同时抑制碳钢腐蚀的阴、阳极反应过程。碳钢的阻抗值随PTOE浓度增加而增大,其在碳钢表面的吸附符合Langmuir等温式。同时用量子化学中的从头算方法对缓蚀剂的分子结构与缓蚀性能的关系进行了研究。
A newly synthesized triazole, 1-phenyl-2-（ 5＇-（ 1＇, 2＇, 4＇） triazol-l-ylmethyl-（ 1＇, 3＇, 4＇） oxadizaol-2- ylsulfanyl）-ethanone （PTOE）, as a corrosion inhibitor for mild steel in 0. 5 mol/L H2SO4 was investigated using weight loss experiment, electrochemical test and quantum chemical calculations. The surface morphology after corrosion test was observed by scanning electron microscopy （SEM）. It was found that the highest inhibition efficiency of PTOE reached 92. 7% at 1.0×10^-3 mol/L. The potentiodynamic polarization curves of mild steel in sulphuric acid containing these compounds showed that both cathodic and anodic processes of steel corrosion were suppressed, and resistance of the steel increased with the increase in inhibitor concentration through the Nyquist plots of impedance expressed mainly as a capacitive loop with different compounds and concentrations. A linear fit to Langmiur isotherm was obtained between C/θ and C. The relationship between molecular structure of these compounds and the inhibition efficiency has been investigated by ab -initio quantum chemical calculations.
出处
《腐蚀与防护》
CAS
北大核心
2009年第6期364-368,共5页
Corrosion & Protection
基金
中国博士后科学基金资助项目(H30072519B)
山东省博士后科研资助项目(N84072603)
关键词
缓蚀剂
电化学测试
失重
量子化学计算
inhibitor
electrochemical measurement
weight loss experiment
quantum chemical calculation
作者简介
联系方式：李伟华，liweihua@ms．qdio．ac．cn
