Vikas Kalia, Pradeep Kumar, Suresh Kumar
Sep 1, 2020
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Influential Citations
18
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Journal
Journal of Molecular Liquids
Abstract
Abstract This study explains about the two newly synthesized oxadiazole derivatives, namely 5-benzyl-3-((4-nitrophenylamino) methyl)-1,3,4-oxadiazole-2-(3H)-thione (B4NPAMOT) and 5-benzyl-3-((2-nitrophenylamino) methyl)-1,3,4-oxadiazole-2-(3H)-thione (B2NPAMOT). The corrosion inhibition efficiency of both oxadiazole derivatives tested onto mild steel in 1.0 M hydrochloric acid solution through weight loss measurement, electrochemical impedance spectroscopy, and potentiodynamic polarization techniques. The weight loss measurement was conducted at different concentrations (50 ppm–300 ppm) and varying temperatures 298 K–318 K for immersion periods of 12.0 h. Weight loss results shown that 96.29% and 93.42% was maximized inhibition efficiency by B4NPAMOT and B2NPAMOT respectively at 300 ppm concentration at 298 K. EIS study defined that the charge transfer resistance shifted high at an enhanced concentration of each derivative. Polarization studies revealed a mixed type of inhibition and well obeyed through Langmuir adsorption isotherm by both the derivatives. Surface analysis of the steel sheet performed using a Scanning Electron Microscope (SEM) equipped with electron dispersive X-ray spectroscopy (EDX), respectively. Computational simulation (Fukui functions, DFT and molecular dynamics) was further analyzed to corroborate with the experimental techniques.