Research Article
Sorption Mechanisms and Enhancement of Selected Organochlorine Pollutants in Water on Zeolites
Table 4
Effect of Al doping on Mulliken charge distribution.
| HCB (before adsorption) | Al-doped CLO cluster before adsorption | Al-doped CLO-HCB after adsorption |
| C | 0.6 | Ga | 1.281 | Ga | 1.19 | C | 0.6 | Al | 1.157 | Al | 1.229 | C | 0.6 | O | −0.717 | O | −0.633 | C | 0.6 | O | −0.722 | O | −0.613 | C | 0.6 | O | −0.674 | O | −0.644 | C | 0.6 | O | −0.686 | O | −0.6 | Cl | −0.6 | O | −0.673 | O | −0.649 | Cl | −0.6 | O | −0.654 | O | −0.635 | Cl | −0.6 | O | −0.691 | O | −0.609 | Cl | −0.6 | Ga | 1.246 | Ga | 1.123 | Cl | −0.6 | P | 1.506 | P | 1.194 | Cl | −0.6 | O | −0.713 | O | −0.673 | | | O | −0.677 | O | −0.609 | | | O | −0.684 | O | −0.607 | | | O | −0.733 | O | −0.661 | | | O | −0.713 | O | −0.588 | | | O | −0.647 | O | −0.602 | | | O | −0.677 | O | −0.645 | | | P | 1.516 | P | 1.174 | | | P | 1.511 | P | 1.174 | | | Ga | 1.273 | Ga | 1.119 | | | O | −0.643 | O | −0.602 | | | O | −0.717 | O | −0.611 | | | O | −0.682 | O | −0.6 | | | O | −0.651 | O | −0.595 | | | O | −0.719 | O | −0.635 | | | Ga | 1.289 | Ga | 1.111 | | | | | C | −0.001 | | | | | C | 0.001 | | | | | C | 0.00 | | | | | C | −0.009 | | | | | C | −0.036 | | | | | C | 0.002 | | | | | Cl | 0.072 | | | | | Cl | 0.031 | | | | | Cl | 0.033 | | | | | Cl | 0.028 | | | | | Cl | 0.024 | | | | | Cl | 0.028 |
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