Table 2.
The hard sphere diameters, square well widths and interaction energy for each pair of coarse-grained type.
| Coarse-grained Type i |
Coarse-grained Type j |
σHS ij (Å) |
Λij (Å) |
εij (eV) |
|---|---|---|---|---|
| 1 | 1 | 4.35 | 12.65 | −0.065 |
| 1 | 2 | 3.85 | 9.85 | −0.070 |
| 1 | 3 | 3.85 | 9.95 | −0.050 |
| 1 | 4 | 3.75 | 10.25 | −0.047 |
| 1 | 5 | 4.15 | 8.00 | 0.000 |
| 1 | 6 | 4.15 | 8.00 | 0.000 |
| 2 | 2 | 4.05 | 12.15 | −0.080 |
| 2 | 3 | 3.45 | 13.05 | −0.048 |
| 2 | 4 | 3.35 | 12.35 | −0.030 |
| 2 | 5 | 3.75 | 8.15 | 0.000 |
| 2 | 6 | 3.65 | 6.40 | 0.000 |
| 3 | 3 | 3.65 | 10.45 | −0.037 |
| 3 | 4 | 3.25 | 9.95 | −0.036 |
| 3 | 5 | 3.65 | 10.53 | −0.022 |
| 3 | 6 | 3.55 | 7.70 | −0.015 |
| 4 | 4 | 3.15 | 11.65 | −0.035 |
| 4 | 5 | 3.45 | 11.43 | −0.026 |
| 4 | 6 | 3.45 | 10.85 | −0.023 |
| 5 | 5 | 3.75 | 11.56 | −0.050 |
| 5 | 6 | 3.75 | 11.66 | −0.054 |
| 6 | 6 | 3.65 | 11.02 | −0.070 |