Dielectric properties of H2O not fully consistent with hkf coefficients in the literature #82
Description
The HKF coefficients reported by Tanger and Helgeson (1988) and Sverjensky et al. (1997) appear to be based on a different model for the dielectric constant of water.
For example, the reference Born functions Q and X listed in Sverjensky et al. (1997) at 298.15 K and 1 bar are Q = 5.903e-7 bar^-1 and X = -3.09e-7 K^-2. However, when calculated using the Johnson and Norton (1991) formulation implemented in ThermoFun/Reaktoro, the corresponding values are Q = 6.638388994e-7 bar^-1 and X = -3.060388224e-7 K^-2.
Using the Johnson and Norton (1991) formulation leads to slight differences in the computed heat capacity (Cp) and molar volume (V) (also at reference temperature and pressure) when using the published HKF coefficients, compared to the original values for Cp and V reported by Tanger and Helgeson (1988) and Sverjensky et al. (1997).
Example: Al+3
a1 -0.334
a2 -1711
a3 14.99
a4 -20720
c1 10.7
c2 -80600
w 287100
V = 45.27 cm3/mol is calculated compared with 44.4 cm3/mol using Tanger and Helgeson (1988) Q
Cp = 133.2 J/(mol K) is calculated compared with 134.5 J/(mol*K) Tanger and Helgeson (1988) X
Q at 375 C and 250 bar
Tanger and Helgeson (1988) Table H-3 0.4969e-3
Johnson and Norton (1991) Table 22 0.45508e-3
X at 375 C and 250 bar
Tanger and Helgeson (1988) Table H-6 -0.1985e-4
Johnson and Norton (1991) Table 24 -0.28048e-4