Geometrical Optimization Of The Structure Of Carboxylic Acids Vis-À-Vis Their Effectiveness Toward Iron Ore Flotation

Saturated and unsaturated fatty acids are used in the flotation of iron values present in iron ore. Among the several fatty acids, oleic acid and its sodium salt are widely used. To substantiate the flotation results, the quantum chemical calculations of a few such acids have been carried out by adopting the semi-empirical AM1 method. These acids have been further optimized in the presence of an iron atom. The electronic interaction of the polar carboxylic head group of oleic acid with the iron atom is higher compared to the other acids. The numerical results support the flotation behavior of iron ore with oleic acid. Key words: Iron ore, Flotation, Fatty acids, Quantum chemical calculations, Semi-empirical AM1 method