The oxygen-oxygen pair correlation function for the TIP4P-DCT and TIP4P-FQ+DCT potentials (dashed lines) and x-ray experimental data (solid line) (see Ref. 86). The correlation function for the TIP4P-DCT model has been shifted by two units.
Density of (a) TIP4P+DCT (circles), TIP4P/2005 (see Ref. 66), and TIP4P-Ew64 and (b) TIP4P-FQ+DCT (circles and dashed line) and TIP4P-FQ (see Ref. 83) compared to experiment (solid line) (see Ref. 78).
Probability distribution of the difference in the number of hydrogen bonds a molecule forms as a donor and as an acceptor at three different temperatures, 273 K (dashed line), 298 K (solid line), and 373 K (dotted line) from the TIP4P+DCT potential.
Parameters for the TIP4P-DCT, TIP4P (see Ref. 85), TIP4P/2005 (see Ref. 66), and TIP4P-Ew (see Ref. 64) models.
Parameters for the TIP4P-FQ+DCT and TIP4P-FQ (see Ref. 47) models.
Properties of selected water models at T = 298 K and P = 1 atm: density, ρ, average potential energy per molecule, E, isothermal compressibility, κ T , coefficient of thermal expansion, α p , constant pressure heat capacity, C p , dielectric constant, ε, and translational diffusion constant, D.
Average values for the magnitude of the total charge, the dipole moment, and the quadrupole moments of liquid water at a temperature of 298 K and a pressure of 1 atm.
Liquid densities at a pressure of 1 atm, compared to experiment (Ref. 78).
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