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首页> 外文期刊>International Journal of Electrochemical Science >Thermodynamics, Quantum and Electrochemical Studies of Corrosion of Iron by Piperazine Compounds in Sulphuric Acid
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Thermodynamics, Quantum and Electrochemical Studies of Corrosion of Iron by Piperazine Compounds in Sulphuric Acid

机译：哌嗪类化合物在硫酸中腐蚀铁的热力学，量子和电化学研究

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摘要

The corrosion inhibition of mild steel in 3.2M H2SO4 solution by 1-benzyl piperazine (C2), 1,6-di(1- benzyl piperazine-1-carboxamide)hexane (C4), bis(1-benzyl piperazine) disulfure de thiuram (C5)inhibitors has been studied by potentiodynamic polarization curves and electrochemical impedancespectroscopy (EIS) measurements and weight loss methods. Polarization studies clearly revealed thatall the compounds used act as mixed-type inhibitors. The temperature on inhibitory behaviour of C2,C4 and C5 was investigated. Adsorption isotherms were fitted by Langmuir isotherm and adsorption energies ( ads) and kinetic parameters were evaluated. The correlation between inhibition efficiencyand molecular structure of the compounds is investigated by determination of chemical indexes, whichwere performed using Gaussian03 package software, with density functional theory (DFT) and thecorrelation functional (B3LYP) in 6-31G* basis.
机译：1-苄基哌嗪（C2），1,6-二（1-苄基哌嗪-1-甲酰胺）己烷（C4），双（1-苄基哌嗪）二硫秋兰姆对3.2M H2SO4溶液中低碳钢的腐蚀抑制作用（C5）抑制剂已通过电位动力学极化曲线和电化学阻抗谱（EIS）测量和减肥方法进行了研究。极化研究清楚地表明，所有使用的化合物均充当混合型抑制剂。研究了温度对C2，C4和C5的抑制行为。吸附等温线通过Langmuir等温线拟合，并评估了吸附能（ad）和动力学参数。化合物的抑制效率与分子结构之间的关系通过使用高斯03软件包软件，以密度泛函理论（DFT）和相关泛函（B3LYP）在6-31G *的基础上测定化学指标来研究。

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