Ion contents of the simulation system based on a 4 × 4 × 2 supercell under different loadings.
Loading levels | Na0.75(Si7.75Al0.25)(Al3.5Mg0.5)O20(OH)4 | ||
---|---|---|---|
Na+ | CTMA+ | Br− | |
0.33CEC | 16 | 8 | 0 |
0.66CEC | 8 | 16 | 0 |
1.00CEC | 0 | 24 | 0 |
1.33CEC | 0 | 32 | 8 |
1.66CEC | 0 | 40 | 16 |
2.00CEC | 0 | 48 | 24 |
2.66CEC | 0 | 64 | 40 |