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Inhibition of mild steel corrosion in hydrochloric acid using two novel pyridine Schiff base derivatives: a comparative study of experimental and theoretical results

机译:两种新型吡啶席夫碱衍生物在盐酸中抑制低碳钢腐蚀的实验和理论结果的比较研究

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Two novel pyridine Schiff base derivatives, namely 3-pyridinecarboxaldehyde-4-phenyl thiosemicarbazide (3-PCPTC) and 4-pyridinecarboxaldehyde-4-phenylthiosemicarbazide (4-PCPTC), were synthesized and their corrosion inhibition properties on mild steel in 1.0 M HCl were studied through experimental and theoretical measurements. Weight loss, electrochemical impedance spectroscopy and potentiodynamic polarization results indicate that both compounds exhibit a good inhibition effect and that 3-PCPTC shows better inhibition efficiency than 4-PCPTC. Meanwhile, the adsorption process obeys the Langmuir adsorption isotherm model, and thermodynamic parameters were calculated and discussed. Scanning electron microscopy and X-ray photoelectron spectroscopy analyses confirm the adsorption and protective abilities of the two studied inhibitors on mild steel in HCl. UV-vis spectroscopic studies show that the corrosion inhibitors interact with mild steel in HCl solution to form Fe-inhibitor complexes. Furthermore, quantum chemical calculations and molecular dynamics simulations were performed. According to the experimental and theoretical results, the inhibition mechanism was deduced.
机译:合成了两种新型的席夫碱席夫碱衍生物,即3-吡啶甲醛4-苯基硫代氨基脲(3-PCPTC)和4-吡啶甲醛-4-苯基硫代氨基脲(4-PCPTC),并在1.0 M HCl中对低碳钢具有缓蚀性能。通过实验和理论测量进行研究。重量损失,电化学阻抗谱和电位动力学极化结果表明,这两种化合物均显示出良好的抑制作用,并且3-PCPTC的抑制效率高于4-PCPTC。同时,吸附过程遵循Langmuir吸附等温线模型,并计算和讨论了热力学参数。扫描电子显微镜和X射线光电子能谱分析证实了两种研究的抑制剂在HCl中对低碳钢的吸附和保护能力。紫外可见光谱研究表明,缓蚀剂与低碳钢在HCl溶液中相互作用,形成缓铁剂。此外,进行了量子化学计算和分子动力学模拟。根据实验和理论结果推导了其抑制机理。

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