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.