An Experimental and Theoretical Investigation of the Efficacy of Pantoprazole as a Corrosion Inhibitor for Mild Steel in an Acidic Medium

The corrosion behavior of mild steel in a 1 M aqueous sulfuric acid medium in the presence and absence of the drug Pantoprazole was investigated using potentiodynamic polarization and quantum chemical calculations as well as Monte Carlo and molecular dynamic simulations. The potentiodynamic experiments indicated that this molecule, as a result of its adsorption on a mild steel surface, functioned as a mixed inhibitor. The goal of the study was to use theoretical calculations to acquire a better understanding of how inhibition works. The adsorption behavior of the examined compounds on the Fe (1 1 0) surface was calculated using a Monte Carlo simulation. Furthermore, the molecules were studied using density functional theory (DFT), especially the PBE functional, to determine the relationship between the molecular structure and the corrosion inhibition behavior of the chemical under research. The adsorption energies of Pantoprazole (in its three different protonation states) iron were calculated more precisely using molecular mechanics with periodic boundary conditions (PBC). The predicted theoretical parameters were found to be in agreement with the experimental data, which was a considerable help in understanding the corrosion inhibition mechanism displayed by this chemical.

Kinetic Study of the Ultrasound Effect on Acid Brown 83 Dye Degradation by Hydrogen Peroxide Oxidation Processes

The effect of ultrasound on the degradation of the dye Acid Brown 83 by seven different degradation methods (blank test using only ultrasound, hydrogen peroxide in a neutral medium, hydrogen peroxide in a sulfuric acid medium and hydrogen peroxide in a sulfuric acid medium in the presence of Fe(II), both without and with ultrasonic irradiation) is studied in this paper. The effectiveness of these methods is compared by analyzing the degradation percentages of the dye and its initial degradation rate. The application of ultrasound leads to a significant increase in the efficiency of any of the degradation method studied. Kinetic study of Acid Brown 83 degradation by the above-mentioned methods is carried out by using four kinetic models (first order, second order, Behnajady and pseudo-first order). The pseudo-first order model is the one that best fits the experimental data in all the used degradation methods. Although when the degradation is performed in the presence of Fe(II), the Behnajady model presents correlation coefficients slightly higher than those of the pseudo-first order, the maximum experimental conversions obtained fit much better in all cases to the pseudo first order model.