ThermoData Engine (TDE) Version 6.0 (Pure Compounds, Binary Mixtures, Ternary Mixtures, and Chemical Reactions)
Michael D. Frenkel, Robert D. Chirico, Vladimir Diky, Chris D. Muzny, Andrei F. Kazakov, Joe W. Magee, Ilmutdin M. Abdulagatov, Kenneth G. Kroenlein, Jeong W. Kang
ThermoData Engine (TDE) is the first full-scale software implementation of the dynamic data evaluation concept. In the present release, properties for ternary mixtures are calculated through combination of critically evaluated results for the constituent binaries. Activity coefficient models, included in previous releases involving binary systems, are applied for calculation of vapor-liquid (VLE) and liquid-liquid equilibrium (LLE) properties. The Redlich-Kister nist-equation is applied for calculation of excess enthalpies, viscosities, and densities for ternary mixtures from the evaluated binary data. Interface modifications for display of ternary phase diagrams are included. A new test for thermodynamic consistency of VLE data at high pressures is also included.
dynamic data evaluation, ternary mixtures, activity coefficient models, critical data evaluation, thermodynamic properties, thermophysical properties