We decided model 13 was the optimum model.
When Hamiltonian scaling GCMC was used to find new parameters that reproduced the experimental critical temperature, the critical densities were not determined.
Models that showed little hope after determining the critical parameters and coexisting densities at 300 K were terminated early. As a result, the liquid structure and/or coexisting densities at 450 K were not determined.
T | rLiquid | rVapor |
---|---|---|
300 | 996.51 | 0.02559 |
450 | 890.34 | 4.812 |