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Inhibition of copper corrosion in acid solution by N-1-naphthylethylenediamine dihydrochloride monomethanolate: experimental and theoretical study: part-1

机译:N-1-萘乙二胺二盐酸盐单甲醇盐对酸性溶液中铜腐蚀的抑制:实验和理论研究:第1部分

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摘要

Inhibition of corrosion of copper in 2M HNO_3 by N-1-naphthylethylenediamine dihydrochloride monomethanolate (N-NEDHME) has been studied by use of weight loss, electrochemical polarization, and electrochemical impedance spectroscopy (EIS) measurements. The result obtained reveal that this organic compound is a very good inhibitor and its inhibition efficiency increases with increasing concentration, reaching 94% at 10~(-3) M at 303 K. The potentiodynamic polarization study indicated that this compound acts as a cathodic type corrosion inhibitor. EIS results indicate that the change in the impedance properties (R_t and C_(dl)) with concentration of inhibitor was because of the formation of a protective layer on the surface of copper. Quantum chemical calculations using DFT at the B3LYP/6-31G* level of theory was further used to calculate some electronic properties of the molecule in order to ascertain any correlation between the inhibitive effect and molecular structure of N-NEDHME. The effect of temperature between 303 and 343 K and calculation of activation data will be discussed in Part 2.
机译:通过使用失重,电化学极化和电化学阻抗谱(EIS)测量,研究了N-1-萘乙二胺二盐酸盐单甲醇盐(N-NEDHME)对2M HNO_3中铜腐蚀的抑制作用。所得结果表明该有机化合物是一种很好的抑制剂,其抑制效率随浓度的增加而提高,在303 K在10〜(-3)M时达到94%。电位动力学极化研究表明该化合物为阴极型缓蚀剂。 EIS结果表明,随着抑制剂浓度的增加,阻抗特性(R_t和C_(dl))的变化是由于在铜表面形成了保护层。为了确定N-NEDHME的抑制作用与分子结构之间的任何相关性,还使用了在D3LYP / 6-31G *理论水平上使用DFT进行的量子化学计算来计算分子的某些电子性质。温度在303和343 K之间的影响以及激活数据的计算将在第2部分中讨论。

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