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Synthesis and Characterization of a New N4S2 Schiff base and Investigation of its Adsorption and Corrosion Inhibition Effect by Experimental and Theoretical Methods

机译:一种新的N4S2席夫基地的合成与表征及实验和理论方法对其吸附和腐蚀抑制作用的研究

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In this study, a new N4S2 Schiff base compound based on [2-({2-[(2-aminophenyl)thio]ethyl}thio)phenyl] amine and pyridine-2-carboxaldehyde was synthesized for the first time and its corrosion inhibition performance against mild steel corrosion in 1 M HCl was studied by several experimental and theoretical techniques. Potentiodynamic polarization examinations indicated that the synthesized N4S2 Schiff base performs as mixed-type inhibitor and its corrosion inhibition performance promoted at higher concentrations. Electrochemical Impedance Spectroscopy (EIS) examinations demonstrated that the polarization resistance of the mild steel increases by adding the synthesized compound while the capacitance values of the electrical double layer decreases indicating inhibitor adsorption at metal/electrolyte interface. The EIS experiments also revealed that the corrosion inhibition performance does not alter by increasing the temperature of the corrosive media from 30 degrees C to 35 degrees C but then slowly reduces with the subsequent increment in temperature since thermal agitation of the adsorbed inhibitor species accelerates. The inhibitor's adsorption process is found to obey the Langmuir isotherm may be predominantly via chemisorption. However, possibility of the inhibitor physisorption was confirmed by calculation of potential of zero charge (E-PZC) for the electrode surface in the blank and inhibitor-containing test electrolytes. Density Functional Theory (DFT) was also utilized to optimize the structure of the neutral N4S2 ligand and its protonated form along with their possible complex compounds with ferrous ions. Also, the relationship between structure of the N4S2 Schiff base and the corrosion inhibition performance was discussed by computing some quantum chemical parameters. Scanning Electron Microscopy (SEM) images approved the corrosion inhibition capacity of the Schiff base compound.
机译:本研究首次合成了一种基于[2-({2-[(2-氨基苯基)硫代]乙基}硫代)苯基]胺和吡啶-2-甲醛的新型N4S2希夫碱化合物,并通过多种实验和理论技术研究了其在1M HCl中对碳钢腐蚀的缓蚀性能。动电位极化测试表明,合成的N4S2席夫碱具有混合型缓蚀剂的性能,在较高浓度下缓蚀性能得到提高。电化学阻抗谱(EIS)测试表明,添加合成化合物后,低碳钢的极化电阻增加,而双电层的电容值降低,表明缓蚀剂在金属/电解质界面上吸附。EIS实验还表明,腐蚀介质的温度从30℃升高到35℃时,缓蚀性能不会发生改变,但随着随后温度的升高,缓蚀性能会缓慢降低,因为吸附的缓蚀剂种类的热搅拌会加速。发现缓蚀剂的吸附过程服从朗缪尔等温线,可能主要是通过化学吸附。然而,通过在空白和含抑制剂的测试电解质中的电极表面的零电荷电位(E-PZC)的计算,证实了抑制剂物理吸附的可能性。密度泛函理论(DFT)也被用于优化中性N4S2配体的结构及其质子化形式,以及它们可能与亚铁离子的络合物。通过计算一些量子化学参数,讨论了N4S2席夫碱的结构与缓蚀性能的关系。扫描电子显微镜(SEM)图像证实了希夫碱化合物的缓蚀能力。

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