. 2019 Oct 10;24(20):3652. doi: 10.3390/molecules24203652

Table 1.

Number of initial and retained ions in K-ZM without guest cations, ZM-001 and ZM-110 membranes as well as their comparison with a previous study [10]. The potassium retained in Site I and Site II after 8.5 ns simulations are as percentages.

	ZM-001						Murthy et al. [10]		ZM-110
	Total K⁺	%K1	%K2	Mⁿ⁺	Cl⁻	H₂O	K⁺	M⁺	Total K⁺	%K1	%K2	Mⁿ⁺	Cl⁻	H₂O
Initial	96.0	32.0	64.0	0.0	16.0	128.0			96.0	32.0	64.0	0.0	16.0	128.0
K-ZM	88.1	%96.8	%89.3	0.0	11.0	118.7			85.5	%85.8	%90.7	0.0	12.0	127.9
	Total K⁺	%K1	%K2	Mⁿ⁺	Cl⁻	H₂O	K⁺	M⁺	Total K⁺	%K1	%K2	Mⁿ⁺	Cl⁻	H₂O
Initial	96.0	32.0	64.0	80/40	16.0	128.0			96.0	32.0	64.0	80/40	16.0	128.0
K⁺/NH₄⁺	36.3	%39.7	%36.9	53.0	11.0	123.8	33	55	31.7	%35.3	%31.9	56.6	12.0	116.2
K⁺/Li⁺	45.5	%44.2	%49	51.0	14.0	120.3			45.6	%45.6	%48.4	47.5	14.0	143.9
K⁺/Na⁺	42.1	%46.9	%42.4	50.6	11.4	122.1	39	50	46.9	%50.8	%47.9	51.4	14.0	133.6
K⁺/K⁺	89.3	%37.5	%48.8	46.1	10.0	130.8	87		88.8	%34.5	%49.3	46.2	12.2	132.5
K⁺/Rb⁺	44.0	%37.5	%50	41.1	9.0	127.9	37	48	42.3	%46.4	%42.9	45.4	12.0	133.2
K⁺/Cs⁺	43.8	%50.8	%43	40.1	8.0	122.6	41	42.7	40.9	%46.2	%40.9	47.1	13.0	117.1
K⁺/Mg²⁺	43.1	%46.9	%43.9	25.0	10.6	123.6			54.9	%50.2	%60.7	17.9	13.2	147.4
K⁺/Ca²⁺	41.5	%46.3	%41.7	27.0	10.7	132.2			49.4	%43.8	%55.3	22.0	11.0	137.0