pure fluids

  • sublimation pressure curve
  • melting pressure curve
  • vapour pressure curve
  • spinodal curve
  • virial coefficients
  • single-phase properties (for given pressure or molar volume): internal energy, enthalpy, entropy, compressibility, heat capacity, speed of sound, compression factor, …
  • single-phase compression/expansion (isothermal, isenthalpic, adiabatic)
  • adiabatic two-phase compression/expansion
  • viscosity (from friction theory)
  • surface tension (from friction theory or gradient theory)
  • parameter fitting


  • fluid–fluid phase equilibria (vapour–liquid, liquid–liquid, gas–gas)
  • solid–fluid phase equilibria (e.g., solid + supercritical fluid)
  • isobaric-isenthalpic mixing and isobaric-isentropic mixing
  • critical curves (all critical curves of a mixture in a single sweep)
  • spinodal curves
  • single-phase properties (for given pressure or molar volume): same as for pure fluids; in addition: excess properties
  • transitiometer/DSC simulation (calculates heat during a temperature or pressure scan of a mixture with a fixed overall composition)
  • single-phase compression/expansion (isothermal isenthalpic, adiabatic)
  • two-phase adiabatic compression/expansion
  • limiting diffusion coefficients of solutes in fluids (from friction theory)
  • surface tension (from gradient theory)
  • decomposition pressure of solids (hydrates, carbonates, …)
  • parameter fitting

An example of a vapour pressure calculation can be found here.
See an example of a complicated high-pressure phase diagram here!