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首页> 外文期刊>Der Pharma Chemica: journal for medicinal chemistry, pharmaceutical chemistry and computational chemistry >Experimental and theoretical study on the corrosion inhibition of mild steel by ethyl 1-(((4-acetylphenyl)((3-(ethoxycarbonyl)-1H-p yrazol-1-yl)methyl)amino) methyl)-5-methyl-1H-pyrazole-3-carboxylate in sulfu ric acid solution
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Experimental and theoretical study on the corrosion inhibition of mild steel by ethyl 1-(((4-acetylphenyl)((3-(ethoxycarbonyl)-1H-p yrazol-1-yl)methyl)amino) methyl)-5-methyl-1H-pyrazole-3-carboxylate in sulfu ric acid solution

机译:1-(((4-乙酰基)((3-(乙氧基羰基)-1H-p yrazol-1-yl)甲基)氨基)甲基)-5-甲基-对低碳钢腐蚀抑制的实验和理论研究硫酸溶液中的1H-吡唑-3-羧酸盐

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摘要

The corrosion inhibition of mild steel in 0.5 M H 2 SO 4 using ethyl 1-(((4-acetylphenyl)((3-(ethoxycarbony l)-1H- pyrazol-1-yl)methyl)amino)methyl)-5-methyl-1H-pyraz ole-3-carboxylate (APC) at 298 K have been investig ated. The study was performed using weight loss method, p otentiodynamic polarization, and electrochemical im pedance spectroscopy (EIS). The experimental results sugges t that the inhibition efficiency of this compound i ncreases with the increase in inhibitor concentration. Adsorption of this compound on mild steel surface obeys Langm uir’s isotherm. Polarization measurements proved that thi s inhibitor behave as mixed type. EIS data showed t hat the charge transfer resistance of mild steel increases in acid solution containing inhibitor. Correlation between quantum chemical calculations and inhibition effici ency of the investigated compound is discussed usin g the Density Functional Theory method (DFT).
机译:1-乙基(((4-乙酰基)((3-(乙氧基羰基)-1H-吡唑-1-基)甲基)氨基)甲基)-5-甲基在0.5 MH 2 SO 4中对低碳钢的腐蚀抑制作用已经研究了298 K的-1H-吡唑ole-3-羧酸盐(APC)。该研究使用失重法,电位极化和电化学阻抗谱(EIS)进行。实验结果表明该化合物的抑制效率随抑制剂浓度的增加而增加。该化合物在低碳钢表面上的吸附符合Langm uir的等温线。极化测量证明该抑制剂表现为混合型。 EIS数据表明,在含有抑制剂的酸性溶液中,低碳钢的电荷转移阻力增加。使用密度泛函理论方法(DFT)讨论了量子化学计算与所研究化合物的抑制效率之间的相关性。

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