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