Authors : Rasha Abd Jasim, Sura Khaleel Ibrahim, Muna Sarhan Sando and Ahlam Mohammed Farhan
Abstract: An inhibitor for protective titanium from corrosion was used in acid media at 298 K, the inhibitor was meloxicam drug, the best inhibitor for protection titanium from corrosion was meloxicam drug in acid media because the efficiency increases with the increase of concentration for meloxicam drug at 400 ppm and weight loss decreases with increasing concentration. Structural geometries of meloxicam drug was suggested in solid state and in gas phase by using theoretical treatments, using (Hyper Chem. 8) program for the molecular mechanics, semi-empirical and Ab-initio calculations. The heat of formation ΔH°f binding Energy (ΔEb) and Total Energy (ΔET) for Meloxicam (M) was calculated by the semi-empirical (PM3, ZINDO/1) and Ab-initio (6-31G*), methods at 273 K. Furthermore, the electrostatic potential of the meloxicam (M) was calculated to investigate the reactive sites of the molecule. The semi-empirical (PM3) and Ab-initio (6-31G*) were used to evaluate the vibration and electronic spectra for the organic molecule Meloxicam (M) and the data of theoretically calculated were compared with the experimented values. The theoretically obtained frequencies agreed well with those found, experimentally as well as the, calculations helped to assign unambiguously the most diagnostic bands.
Rasha Abd Jasim, Sura Khaleel Ibrahim, Muna Sarhan Sando and Ahlam Mohammed Farhan, 2018. Protection of Titanium from Corrosion in Acid Media (0.25N HCl ) by Meloxicam Drug and Theoretical Study. Journal of Engineering and Applied Sciences, 13: 11041-11047.