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将灰色关联分析方法用于小样本缓蚀剂的构效关联,研究了醇胺缓蚀剂结构参数与缓蚀效果的关系,表明醇胺缓蚀剂的相对分子量MW、氧原子净电荷ψ_O、最高占据轨道能E_(HOMO)、氮原子净电荷ψ_N等因素影响缓蚀的效果明显,关联度顺序为r_(Mw)>r_O>r_(HOMO)>r_N>r_(LUMO)>r_D,关联分析结论与实验结果吻合,二乙氨基乙醇评价因子为4.2736,缓蚀效果最好,同时结合灰度关联分析结果,探讨了醇胺缓蚀剂的缓蚀机理。
The gray relational analysis method was used to correlate the corrosion inhibitor effect of small samples. The relationship between the corrosion resistance and the structure parameters of alcohol amine corrosion inhibitors was studied. The results showed that the relative molecular weight MW, the net oxygen atom charge ψ_O, The effect of corrosion inhibitor H_ (0), r_ (HOMO)> r_N> r_ (LUMO)> r_D, correlation analysis The conclusion is in good agreement with the experimental results. The evaluation index of diethylaminoethanol is 4.2736, and the best corrosion inhibition effect is obtained. At the same time, the corrosion inhibition mechanism of alcohol amine corrosion inhibitors is discussed based on the results of gray correlation analysis.