TABLE I.
The mean first passage time in ps for tagged particles of various masses. The reference values are obtained from continuous simulations. tr indicates restart intervals at which new random velocities are assigned to each particle in the system.
| tr | Mass of tagged particle (g/mol) | |||
|---|---|---|---|---|
| (ps) | 5 | 40 | 320 | 3200 |
| Reference (tr = ∞) | 1045 ± 8 | 1210 ± 13 | 1478 ± 10 | 2320 ± 14 |
| tr = 12.5 | 1063 ± 6 | 1238 ± 6 | 1588 ± 13 | 4090 ± 42 |
| tr = 25.0 | 1037 ± 6 | 1220 ± 6 | 1534 ± 10 | 3147 ± 16 |
| tr = 50.0 | 1021 ± 7 | 1244 ± 12 | 1489 ± 17 | 2686 ± 10 |
| tr = 100.0 | 1027 ± 10 | 1212 ± 6 | 1478 ± 7 | 2520 ± 12 |