ThermoSTEAM: BioSTEAM’s Premier Thermodynamic Engine#

  • Properties: ThermoSTEAM builds upon chemicals and thermo, from the Chemical Engineering Design Library, for thermodynamic models and data which become encapsulated as callable property classes.

  • Data: Chemical objects manage the thermodynamic methods and makes sure to use a valid method at given temperatures and pressures whenever estimating properties.

  • Interface: A thermodynamic property package is first defined through a Thermo object, which defines the working chemicals, mixing rules, and equlibrium estimation methods. Then, Stream objects can be used to estimate thermodynamic equilibrium, mixture properties, and mass and energy balances.

  • Equilibrium: Phase equilibrium calculations are handled by callable equilibrium objects. The main vapor-liquid equilibrium algorithm solves the modified Raoult’s law equation with activity coefficients estimated through interaction parameters for UNIQUAC Functional-group Activity Coefficients.