Extensive properties for the equilibrium mixture are included as default in the output from a phase equilibrium calculation. Heat capacity values are added to the extensive property output. The output from a Gulliver, Scheil solidification includes the condensed phases previously being precipitated. The quality of the starting estimate has been improved by including contributions from excess Gibbs energies in the algorithm. The method for finding the most stable assembly of phases in the Gibbs energy minimization has been improved.
Phases can exit from any stage of the reactor model.
The name of the corresponding system data, file is stored in the reactor definition, file. Input thermodynamic data can be listed and amended either as Gibbs energy equations or as enthalpies, entropies, and heat capacity equations. Extended Gibbs energy and heat capacity equations can contain maximum 6 additional terms with variable powers of temperature. Magnetic contributions to the Gibbs energy for stoichiometric condensed phases as well as ternary magnetic interactions are permitted. Magnetic data can be amended.