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. 2015 Jun 4;142(21):214507. doi: 10.1063/1.4922166

TABLE II.

The critical temperature (Tc), critical density (ρc), critical pressure (Pc), and the boiling temperature (Tb) of the BLYPSP-4F and TIP4P/2005 models calculated in the 4.0 × 4.0 × 10.0 nm box with a rvdw of 1.75 nm. Previous published results from the Vega group and the experimental values are reported for comparison. The error bars represent 95% confidence interval.

Model BLYPSP-4F TIP4P/2005 TIP4P/2005 [Vega]10 H2O44
Tc (K) 685.1 ± 3.9 639.7 ± 2.4 640 647.1
ρc (mol/L) 16.28 ± 0.25 15.96 ± 0.20 17.21 17.87
Pc (bar) 189.8 ± 48.7 147.7 ± 17.5 146 220.64
Tb (K) 398.7 ± 13.1 393.2 ± 7.8 401 373.15