Table 3 DDA Mulliken population analysis on the surface of Magnesite (101), dolomite (101) and quartz (101).
From: Effect of n-octanol on impurity removal by reverse flotation of magnesite ore
Mineral | Atom | s | p | Total (e) | Charge (e) | |
|---|---|---|---|---|---|---|
Magnesite | H27 | Before adsorption | 0.64 | – | 0.64 | 0.36 |
After adsorption | 0.60 | – | 0.60 | 0.40 | ||
O24 | Before adsorption | 1.84 | 4.90 | 6.74 | − 0.74 | |
After adsorption | 1.84 | 4.87 | 6.70 | − 0.70 | ||
Dolomite | H27 | Before adsorption | 0.94 | – | 0.94 | 0.06 |
After adsorption | 0.66 | – | 0.66 | 0.34 | ||
O34 | Before adsorption | 1.93 | 1.42 | 3.35 | 2.65 | |
After adsorption | 1.85 | 3.96 | 5.80 | 0.20 | ||
Quartz | H2 | Before adsorption | 0.56 | – | 0.56 | 0.44 |
After adsorption | 0.54 | – | 0.54 | 0.46 | ||
O20 | Before adsorption | 1.89 | 4.79 | 6.68 | − 0.68 | |
After adsorption | 1.82 | 5.27 | 7.09 | − 1.09 |
