Spondias mombin L. as a green corrosion inhibitor for aluminium in sulphuric acid: Correlation between inhibitive effect and electronic properties of extracts major constituents using density functional theory

摘要

The inhibition of aluminium in 0.5 M H2SO4 by extracts of Spondias mombin L. was investigated using the standard gravimetric technique at 30-60 °C. The trend of inhibition efficiency with temperature was used to propose the mechanism of inhibition. It was found that the S. mombin L. extract acts as an inhibitor for acid-induced corrosion of aluminium. Inhibition efficiency (%1) of the extract increased with an increase in concentration of the S. mombin L. extract but decreased with temperature. Furthermore, inhibition efficiency (%1) synergistically increased on addition of potassium iodide. Inhibitor adsorption characteristics were approximated by Langmuir adsorption isotherm at all the concentrations and temperatures studied. The mechanism of physical adsorption is proposed from the trend of inhibition efficiency with temperature and from the calculated values of Gibbs free energy, activation energy and heat of adsorption. Quantum chemical calculations were performed using the density functional theory at B3LYP/6-31G (d) level of theory to find out whether a clear link exists between the inhibitive effect of the extract and the electronic properties of its main constituents.