DFT and experimental studies on the inhibition potentials of expired Tramadol drug on mild steel corrosion in hydrochloric acid

Parul Dohare , D.S. Chauhan , A.A. Sorour , M.A. Quraishi
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引用次数: 78

Abstract

The effectiveness of expired Tramadol (ETr) as a corrosion inhibitor for mild steel in 1 M HCl solution was tested by electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), surface analysis (SEM and AFM), and density functional theory (DFT) methods The data obtained from EIS and PDP curve indicated the inhibition efficiency is in direct relationship to Tramadol concentration. The Langmuir adsorption isotherm data confirms a physiochemical mechanism. The SEM and AFM analyses reveal a smoother surface of mild steel. The DFT calculations were used to evaluate the electronic parameters of the neutral and protonated forms of the drug.

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曲马多过期药对软钢盐酸腐蚀抑制电位的DFT和实验研究
通过电化学阻抗谱(EIS)、动电位极化(PDP)、表面分析(SEM和AFM)测试了过期曲马多(ETr)在1M HCl溶液中作为软钢缓蚀剂的有效性,和密度泛函理论(DFT)方法从EIS和PDP曲线获得的数据表明,曲马多的抑制效率与曲马多浓度直接相关。Langmuir吸附等温线数据证实了一种物理化学机制。扫描电镜和原子力显微镜分析显示低碳钢表面更光滑。DFT计算用于评估药物的中性和质子化形式的电子参数。
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