Research Article
Sorption Mechanisms and Enhancement of Selected Organochlorine Pollutants in Water on Zeolites
Table 2
Mulliken charge distribution on HCB, CLO, and HCB-CLO.
| HCB (before adsorption) | CLO before adsorption | HCB–CLO after adsorption |
| C | 0.6 | Ga | 1.296 | Ga | 1.295 | C | 0.6 | P | 1.582 | P | 1.579 | C | 0.6 | O | −0.817 | O | −0.816 | C | 0.6 | O | −0.742 | O | −0.757 | C | 0.6 | O | −0.761 | O | −0.742 | C | 0.6 | O | −0.752 | O | −0.754 | Cl | −0.6 | O | −0.74 | O | −0.75 | Cl | −0.6 | O | −0.695 | O | −0.701 | Cl | −0.6 | O | −0.744 | O | −0.75 | Cl | −0.6 | Ga | 1.298 | Ga | 1.304 | Cl | −0.6 | P | 1.579 | P | 1.582 | Cl | −0.6 | O | −0.815 | O | −0.818 | | | O | −0.76 | O | −0.739 | | | O | −0.744 | O | −0.741 | | | O | −0.754 | O | −0.745 | | | O | −0.76 | O | −0.759 | | | O | −0.699 | O | −0.698 | | | O | −0.748 | O | −0.757 | | | P | 1.585 | P | 1.58 | | | P | 1.578 | P | 1.583 | | | Ga | 1.301 | Ga | 1.29 | | | O | −0.698 | O | −0.696 | | | O | −0.753 | O | −0.749 | | | O | −0.743 | O | −0.755 | | | O | −0.697 | O | −0.69 | | | O | −0.816 | O | −0.815 | | | Ga | 1.288 | Ga | 1.287 | | | O | −0.816 | O | −0.817 | | | | | C | 0.055 | | | | | C | 0.053 | | | | | C | 0.054 | | | | | C | 0.053 | | | | | C | 0.05 | | | | | C | 0.054 | | | | | Cl | −0.037 | | | | | Cl | −0.061 | | | | | Cl | −0.057 | | | | | Cl | −0.055 | | | | | Cl | −0.052 | | | | | Cl | −0.056 |
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