Table 1.
Number of molecules | |||
---|---|---|---|
CER/CHOL/FFA (molar ratio) | nCER | nCHOL | nFFA |
1:0:0 | 128 | 0 | 0 |
0:1:0 | 0 | 128 | 0 |
0:0:1 | 0 | 0 | 512 |
7:1:0 | 112 | 16 | 0 |
3:1:0 | 96 | 32 | 0 |
2:1:0 | 86 | 42 | 0 |
1:1:0 | 64 | 64 | 0 |
7:0:1 | 120 | 0 | 16 |
3:0:1 | 110 | 0 | 36 |
2:0:1 | 102 | 0 | 52 |
1:0:1 | 86 | 0 | 84 |
1:1:1 | 52 | 50 | 52 |
1:2:1 | 32 | 64 | 32 |
2:1:1 | 64 | 32 | 32 |
5:5:1 | 60 | 60 | 12 |
2:2:1 | 56 | 56 | 32 |
The pure FFA system had 9020 water molecules. For all other compositions, there were 5250 water molecules.