首页> 外文期刊>Zeitschrift fur Physikalische Chemie: International Journal of Research in Physical Chemistry and Chemical Physics >Synthesis, Characterization and Corrosion Inhibition of N′-Phenylbenzohydrazide Derivative Metal Complexes: Experimental and Quantum Chemical Studies
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Synthesis, Characterization and Corrosion Inhibition of N′-Phenylbenzohydrazide Derivative Metal Complexes: Experimental and Quantum Chemical Studies

机译:N'-苯基苯并肼衍生物络合物的合成,表征和腐蚀抑制:实验和量子化学研究

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摘要

The main purpose of the present study is to determine anticorrosion properties in oilfield produced water of the N′-phenylbenzohydrazide and its metal complex derivatives by experimental studies and quantum chemical calculations as well as investigate the relationship between experimental and theoretical study results through a correlation study. The molecular structures of N′-phenylbenzohydrazide and its metal complexes (Cu, Mn, Co) obtained characterized by using UV–Vis and FT–IR techniques. The electrochemical polarization measurements, electrochemical impedance spectroscopy (EIS) and scanning electron microscopy techniques were used experimentally in the discovery of corrosion inhibition properties of the metal complexes in oilfield produced water. Some important quantum chemical parameters of the metal complexes were calculated using quantum chemical software, Gaussian 03 W. The electrochemical polarization measurements showed that the inhibition efficiencies of metal complexes were increased with an increase of concentration. The results showed that the metal complexes acted as anodic-type inhibitors. The experimental inhibition activities of studied metal complexes were found to be highly correlated with calculated some parameters, ET, ELUMO, EHOMO and EGap.
机译:本研究的主要目的是通过实验研究和量子化学计算确定油田的防腐性能和其金属络合物衍生物的水,以及通过相关研究研究实验和理论研究结果之间的关系。通过使用UV-VIS和FT-IR技术的特征在于获得N'-苯基苯并肼及其金属配合物(Cu,Mn,Co)的分子结构。电化学极化测量,电化学阻抗光谱(EIS)和扫描电子显微镜技术在发现油田生产水中金属配合物的腐蚀抑制特性的发现中使用。使用量子化学软件,高斯03W计算金属配合物的一些重要量子化学参数。电化学偏振测量结果表明,随着浓度的增加,金属络合物的抑制作用增加。结果表明,金属配合物用作阳极型抑制剂。发现研究金属配合物的实验抑制活性与计算的一些参数,ET,ELUMO,EHOMO和EGAP高度相关。

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