Table 2 Number of gas molecules entering the channel of edge-functionalized GM and corresponding CH4 selectivity
Widths (nm) | Parameters | GM | GM–H | GM–F | GM–OH | GM–NH2 | GM–COOH |
---|---|---|---|---|---|---|---|
0.6 | H2 | 61 | 75 | 89 | 81 | 47 | 0 |
CH4 | 0 | 0 | 0 | 0 | 0 | 0 | |
0.64 | H2 | 74 | 79 | 85 | 87 | 69 | 0 |
CH4 | 86 | 90 | 105 | 77 | 0 | 0 | |
S(CH4/H2) | 1.20 | 1.14 | 1.23 | 0.88 | 0 | 0 | |
0.728 | H2 | 77 | 85 | 82 | 82 | 81 | 11 |
CH4 | 145 | 145 | 145 | 142 | 8 | 0 | |
S(CH4/H2) | 1.88 | 1.71 | 1.76 | 1.73 | 0.10 | 0 | |
1.366 | H2 | 86 | 88 | 91 | 90 | 92 | 85 |
CH4 | 110 | 112 | 109 | 109 | 111 | 107 | |
S(CH4/H2) | 1.28 | 1.27 | 1.20 | 1.21 | 1.21 | 1.26 |