Table 4 System compositions used in the MD simulations
From: A computational chemical study of penetration and displacement of water films near mineral surfaces
System | # organic molecules | # water molecules |
|---|---|---|
Cyclohexane–water | 34 | 198 |
Carbazole–water | 17 | 198 |
Phenol–water | 34 | 198 |
Acetic acid–water | 51 | 198 |