Comment on "An optimized potential for carbon dioxide" [J. Chem. Phys. 122, 214507 (2005)].
A molecular model for carbon dioxide is assessed regarding vapor-liquid equilibrium properties. Large deviations, being above 15%, are found for vapor pressure and saturated vapor density in the entire temperature range.
Merker
Thorsten
T
Vrabec
Jadran
J
Hasse
Hans
H