The electrostatic (Coulomb) and the van-der Waals (Lennard-Jones) energies obtained from the MD simulations for the interaction of (PEGML–PEGML) and (PEGML–alcohol).
| Systema | Coulomb/kJ mol−1 | Lennard-Jones/kJ mol−1 | ||
|---|---|---|---|---|
| PEGML–PEGML | PEGML–alcohol | PEGML–PEGML | PEGML–alcohol | |
| M2 | 157.0 | −338.5 | −339.6 | −1914.8 |
| M3 | 148.7 | −205.6 | −380.2 | −1951.0 |
| M4 | 155.8 | −60.9 | −281.2 | −2142.4 |
| M5 | 156.9 | −15.2 | −268.5 | −2212.2 |
| M6 | 147.6 | −105.5 | −309.5 | −2141.4 |
| M7 | 158.7 | −159.8 | −276.8 | −2275.8 |
a
M2: PEGML + methanol; M3: PEGML + ethanol; M4: PEGML + 2-propanol; M5: PEGML + 2-butanol; M6: PEGML + tert-butanol; M7: PEGML + 1-pentanol.