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Ruby Aslam,Mohammad Mobin,Huda,Mohd Shoeb,Manilal Murmu,Priyabrata Banerjee 한국공업화학회 2021 Journal of Industrial and Engineering Chemistry Vol.100 No.-
The synthesis of novel L-proline nitrate ionic liquid referred to as [Pro][NO3] (IL), was performed and the1H, 13C NMR, and FT-IR spectroscopic techniques were used to elucidate the chemical structure. Theinhibition properties of the [Pro][NO3] IL were evaluated for mild steel (MS) corrosion in 1 M HCl usinggravimetric measurement, electrochemical impedance spectroscopy (EIS), potentiodynamic polarization(PDP) measurement, FT-IR spectroscopy, X-ray photoelectron spectroscopy (XPS), contact anglemeasurement, scanning electron microscopy (SEM), density functional theory (DFT) and Monte Carlo(MC) simulation studies. As indicated by electrochemical and weight loss techniques the tested [Pro][NO3] IL was established as an excellent mixed type high-temperature acid corrosion inhibitor for MS; theoptimal temperature and concentration being 70 C and 300 ppm, respectively. Furthermore, the contactangle measurement and surface studies revealed water-repelling property and the protecting capability,respectively of the investigated inhibitor. The electronic property of [Pro][NO3] IL has been exploredusing density functional theory (DFT) and the sites susceptible for electron sharing were identifiedthrough Fukui indices analysis. Furthermore, molecular dynamics simulation based on the Monte Carlomethod has been employed to envisage the spontaneous adsorption of [Pro][NO3] IL on MS surface.