Table 1. Sizes of GN Sheets Used (m × n [Å]).
GN size (m × n) [Å] | 96 × 52 | 56 × 52 | 16 × 52 |
simulation cell | 111.6 × 96 × 160 | 111.6 × 96 × 160 | 111.6 × 96 × 160 |
no. of water molecules | 32,961 | 33,339 | 33,714 |
GN size | 96 × 32 | 56 × 32 | 16 × 32 |
simulation cell | 111.6 × 96 × 140 | 111.6 × 96 × 140 | 111.6 × 96 × 140 |
no. of water molecules | 27,693 | 27,931 | 28,171 |
GN size | 96 × 12 | 56 × 12 | 16 × 12 |
simulation cell | 111.6 × 96 × 120 | 111.6 × 96 × 120 | 111.6 × 96 × 120 |
no. of water molecules | 22,479 | 22,576 | 22,675 |