Methods and EoS implemented in ThermoFun

Substances

  • Heat Capacity integration Cp = f(T)
  • Molar volume integration V = f(P,T)
  • Birch-Murnaghan, Cp and V integration
    • Holland and Powell Birch-Murnaghan
    • integration of heat capacity with Landau contribution
    • Gottschalk Birch-Murnaghan
  • Berman dVdP
  • HKF (Helgeson-Kirkham-Flowers)
  • Akinfiev-Diamond nonelectrolyte model

Reactions

  • ΔrCp = f(T); ΔrG = f(T); logK = f(T); ΔrV = f(T);
  • Marshall-Franck density model
  • Modified Ryzhenko-Bryzgalin (MRB) model
  • Temperature extrapolations
    • One term (constant logK when ΔrH = 0 or ΔrH = ΔrG = constant when ΔrS = 0)
    • Two terms (Van’t Hoff, ΔrCp = 0)
    • Three terms (constant ΔrCp)

Fluid EoS

  • Churakov-Gottschalk (CG)
  • Peng-Robinson
  • Peng-Robinson-Stryjek-Vera
  • Compensated Redlich-Kwong
  • Soave-Redlich-Kwong
  • Sterner-Pitzer

H2O EoS

  • Haar-Gallagher-Kell (HGK)
  • IAPWS Formulation-1995
  • PVT Zhang and Duan (2005)
  • Idea Gas Wolley
  • Dielectric constant
    • Johnson and Norton (1992)
    • Fernandez et al. (1997)
    • Sverjensky et al. (2014)