ChemSage Data

ChemSage includes a small database of about 1300 pure substances. You will probably need more. You can purchase additional databases or develop your own data for specific systems. A number of data sources are described below. Follow the links for details.

Pure Substances

• SGTE Pure Substance Database
• NIST JANAF Tables
• HSC Chemistry for Windows
• TAPP

The first two databases (SGTE and JANAF) are primo - critically reviewed and used worldwide. The latter two (HSC and TAPP) are both good, but have neither have been reviewed nor used as much as the former.

The SGTE Pure Substance Database ($2495/$1395) contains data for approximately 4200 pure substances, condensed stoichiometric compounds, and gas phase species. The file is ChemSage ready.

The most recent JANAF TAbles are available in print and online, but not in electronic form. You will need to extract coefficients for one compound at a time, convert them, and enter them into the ChemSage User database.

HSC Chemistry ($595) includes a database of over 14,000 species, including aqueous solutes. A number of ChemSage users have purchase HSC primarily for the data and for calculations in which solution phases are absent. HSC data can be exported in ChemSage format.

TAPP ($495/$395) includes a thermodynamic database of over 8,000 species. The data in ChemSage format is available to TAPP/ChemSage licensees on request.

Solution/System Databases

There are the systems you purchase ChemSage to analyze. The SGTE Solutions Database ($6995/$3895) is contains a comprehensive selection of non-ideal solution data covering unary, binary, ternary and quaternary metallurgical systems. Substitutional, sublattice and Pitzer models are the principle models used to describe the composition dependence of the thermodynamic properties of mixing for solution phases.

Other large databases available are topically oriented and include:

• geochemistry
• geophysics
• aqueous
• nuclear
• binary and ternary alloy systems
• molten salts
• non-ferrous metals production
• ironmaking, steelmaking,and iron-base alloys

See the GTT Technologies Online Dataguide for a complete list of available GTT databases. Finally, if you cannot find what you need, contact us. We will at least know where to look.

Roll Your Own

ChemSage includes a module to generate an optimum set of solution parameters for a system that has not yet been analyzed. The general procedure is as follows:

• Select the system components and phases.
• Select a solution model for each phase.
• Specify the number and nature of the solution coefficients.
• Enter known coefficients and specify the unknowns.
• Enter available phase equilibria and thermo data.
• Hit Return

ChemSage will calculate values for unknown coefficients that minimize the difference between calculated values and the entered data.