Corrosion inhibitive property of ionic liquid 1-Methyl-3-propylimidazolium iodide (MPII) on Mild Steel in 1 M H 2 SO 4 was investigated by experimental and computational Studies. The inhibition efficiency of inhibitor MPII at various concentrations, temperature and time duration were studied by gravimetric measurements, potentiodynamic polarization techniques, electrochemical impedance spectroscopy (EIS), surface studies and computational studies. The results from potentiodynamic polarization studies revealed that inhibitor 1-Methyl-3-propylimidazolium iodide acts as a mixed type inhibitor with a high inhibition efficiency of 91% at 298 K. Adsorption of the inhibitor on the surface of mild steel follows the Langmuir adsorption isotherm. The mechanism of adsorption was also validated by quantum chemical studies. Morphology and topography of the Mild Steel surface with and without the inhibitor were investigated by SEM. Thermodynamic parameters for adsorption like adsorption equilibrium (K ads ), DH , ads DS , ads Free energy of adsorption i.e. ΔG ads were also calculated so as to project the mechanism of adsorption. Computational data obtained from the Density functional theory (DFT) were used to acquire detailed theoretical insights. Appreciably Electrochemical impedance spectroscopy, Molecular dynamic simulation and quantum chemical calculation confirms the interaction of inhibitor with metal which leads to increases in inhibition efficiency.
The non-toxic anticorrosion properties of nicotinamide have been studied on aluminum in an acidic medium. The techniques included weight loss method, electrochemical measurements, quantum chemical calculations, Monte Carlo simulation, infra-red spectroscopy and scanning electron microscopy. This study gathers information about the inhibitor molecule adsorption onto the surface of metal specimens. Thermodynamic parameters were utilized to predict the adsorption mechanism. The dependence of corrosion inhibition efficiency on various parameters was examined, and it was seen that the increase in the inhibitor concentration and in temperature led to an increase in the inhibition efficiency. The dipole moment and EHOMO-ELUMO influenced the inhibition efficiency, which was observed by quantum chemical studies.
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