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电化学和量子化学研究 N,N'-双(4-羟基苯甲醛)-2,2-二甲基丙二胺希夫碱在 HCl 溶液中作为低碳钢的缓蚀剂。

Electrochemical and quantum chemical studies of N,N'-bis(4-hydroxybenzaldehyde)-2,2-dimethylpropandiimine Schiff base as corrosion inhibitor for low carbon steel in HCl solution.

机构信息

Abadan Faculty of Petroleum Engineering, Petroleum University of Technology, Abadan, Iran.

出版信息

J Environ Sci Health A Tox Hazard Subst Environ Eng. 2013;48(13):1628-41. doi: 10.1080/10934529.2013.815094.

Abstract

A synthesized Schiff base N,N'-bis(4-hydroxybenzaldehyde)-2,2-dimethylpropandiimine (p-HBDP) was studied as green inhibitor for the corrosion of low carbon steel in 1 M HCl solution using electrochemical, surface and quantum chemical methods. Results showed that the inhibition occurs through the adsorption of the inhibitor molecules on the metal surface. The inhibition efficiency was found to increase with increasing inhibitor concentration and de-creased with increasing temper-ature, which is due to the fact that the rate of corrosion of steel is higher than the rate of adsorption. Thermodynamic parameters for adsorp-tion and activation processes were determined. Polarization data indicated that this compound act as mixed-type inhibitors and the adsorption isotherm basically obeys the Langmuir adsorption isotherm. The calculations of reactivity indices of p-HBDP such as softness and natural charge distributions together with local reactivity by means of Fukui indices were used to explain the electron transfer mechanism between the p-HBDP molecules and the steel surface.

摘要

合成的希夫碱 N,N'-双(4-羟基苯甲醛)-2,2-二甲基丙二胺(p-HBDP)被研究为低碳钢在 1 M HCl 溶液中腐蚀的绿色抑制剂,采用电化学、表面和量子化学方法。结果表明,抑制作用是通过抑制剂分子在金属表面的吸附来实现的。发现抑制效率随着抑制剂浓度的增加而增加,随着温度的升高而降低,这是因为钢的腐蚀速率高于吸附速率。吸附和活化过程的热力学参数被确定。极化数据表明,该化合物作为混合型抑制剂,吸附等温线基本符合朗缪尔吸附等温线。通过福井指数计算 p-HBDP 的反应性指数,如软度和自然电荷分布,以及局部反应性,用于解释 p-HBDP 分子和钢表面之间的电子转移机制。

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