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通过失重法测试3种取代吡啶甲酰腙席夫碱化合物对铜在3.5%NaCl溶液中的缓蚀作用。结果表明:都有良好的缓蚀作用,缓蚀效率高达96%以上;其中尤以邻香草醛-2-吡啶甲酰腙(L2B)的效果最好,当浓度为50 mg/L时,缓蚀效率就已达到80%以上。用量子化学半经验AM1方法,在B3LYP/6-31G~*基组水平上,研究3种席夫碱缓蚀性能与分子结构的关系、量子化学参数与缓蚀性能的关系及缓蚀机理,结果表明:3种缓蚀剂的缓蚀效率与分子的最高占有轨道能量EHOMO、氮氧原子的净电荷和热力学参数之间有很好的相关性。利用SPSS Statistics 17.0软件线性回归分析量子化学参数与缓蚀性能的相关性,结果表明:评价失重法对3种缓蚀剂对铜缓蚀能力的实验数据和理论计算相吻合。
The corrosion inhibition of copper (Ⅲ) in 3.5% NaCl solution by three substituted picolyl hydrazone Schiff base compounds was tested by weight loss method. The results showed that both of them had good corrosion inhibition and the efficiency of corrosion inhibition was over 96%. Especially, vanillin-2-picolinohydrazone (L2B) had the best effect. When the concentration was 50 mg / L, Erosion efficiency has reached more than 80%. Based on semi-empirical quantum chemical method (AM1), the relationship between the corrosion inhibition properties and molecular structure of three Schiff bases, the relationship between the quantum chemical parameters and corrosion inhibition and the corrosion inhibition mechanism were studied at B3LYP / 6-31G ~ The results show that there is a good correlation between the corrosion inhibition efficiencies of the three corrosion inhibitors and the net energy and thermodynamic parameters of the highest occupied orbital energy EHOMO and nitrogen and oxygen atoms. The linear regression analysis of SPSS 17.0 software was used to analyze the correlation between the quantum chemical parameters and the corrosion inhibition performance. The results showed that the experimental data of three kinds of corrosion inhibitor on corrosion inhibition performance coincided with the theoretical calculation.