Table 4 NDA 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 | 0.60 | – | 0.60 | 0.40 |
After adsorption | 0.61 | – | 0.61 | 0.39 | ||
O24 | Before adsorption | 1.84 | 4.88 | 6.72 | − 0.72 | |
After adsorption | 1.83 | 4.90 | 6.73 | − 0.73 | ||
Dolomite | H27 | Before adsorption | 0.96 | – | 0.96 | 0.04 |
After adsorption | 1.18 | – | 1.18 | − 0.18 | ||
O34 | Before adsorption | 1.94 | 1.66 | 3.60 | 2.40 | |
After adsorption | 1.92 | 1.66 | 3.58 | 2.42 | ||
Quartz | H28 | Before adsorption | 0.55 | – | 0.55 | 0.45 |
After adsorption | 0.59 | – | 0.59 | 0.41 | ||
O12 | Before adsorption | 1.90 | 4.82 | 6.72 | − 0.72 | |
After adsorption | 1.85 | 5.21 | 7.06 | − 1.06 | ||
H2 | Before adsorption | 0.54 | – | 0.54 | 0.45 | |
After adsorption | 0.59 | – | 0.59 | 0.41 | ||
H29 | Before adsorption | 0.60 | – | 0.60 | 0.40 | |
After adsorption | 0.54 | – | 0.54 | 0.46 | ||
O20 | Before adsorption | 1.89 | 4.83 | 6.72 | − 0.72 | |
After adsorption | 1.87 | 5.21 | 7.08 | − 1.08 |
