| 刘琳,彭丹,张艳萍,张强,钱建华.化学通报,2015,78(12):1158-1161. |
| 5-苯基-1H-四氮唑对铜片缓蚀性能的研究 |
| Corrosion inhibition property of 5-Phenyl-1H-tetrazole on copper strips |
| 投稿时间：2015-03-31 修订日期：2015-07-24 |
| DOI： |
| 中文关键词: 5-苯基-1H四氮唑 铜片 极化曲线 分子动力学模拟 |
| 英文关键词:5-Phenyl-1H-tetrazole copper strips polarization curve molecular dynamics simulation |
| 基金项目:国家自然科学基金面上项目（NO.21176030），辽宁省第三批特聘教授计划 |
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| 中文摘要: |
| 通过金相显微镜和接触角测试研究了5-苯基-1H四氮唑在硫-乙醇体系中对铜的缓蚀性能。结果显示,缓蚀剂可以在铜片表面形成疏水性保护膜,有效抑制了铜片的腐蚀。通过电化学测试得出当缓蚀剂浓度为70 mg/L时缓蚀效率达到87%,对铜电极有明显的缓蚀作用。通过量子化学密度泛函理论研究了缓蚀剂分子结构与缓蚀性能的关系,分析了缓蚀剂分子的活性位点。通过分子动力学模拟研究了缓蚀剂分子在Cu(111)表面的吸附行为。 |
| 英文摘要: |
| It was investigated the inhibitive effect of the 5-Phenyl-1H-tetrazole on copper in ethanol solution while sulfur concentration was for 50 mg.L-1. The inhibition performance was evaluated by means of metallographic microscopic analysis and connect angle. The results showed that the inhibitor adsorbed onto metal surface and successfully inhibited the corrosion. The electrochemical behavior of copper was studied by Tafel polarization curves. The results showed that it was of well corrosion inhibition effect as the inhibition efficiency for 87% when the inhibitor concentration of PHT was 70 mg/L. The active region and the relation of the structure and the inhibition efficiency were verified by quantum chemistry calculation. The molecular simulation had been used to simulate the adsorption model of inhibitor molecule on Cu(111) surface. |
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