Skip to main content
. 2018 Nov 29;23(12):3131. doi: 10.3390/molecules23123131

Figure 6.

Figure 6

(a) Density and (b) heat of vaporization (ΔHvap) over a range of temperatures (248 K–373 K) for water: comparison between experimental values (black crosses) and values calculated from simulation using the water model presented in this work (blue circles). Calculated values of ΔHvap are corrected for changes in vibrational modes upon evaporization, which contribute significantly as documented by Horn et al. [14].