Useful Sets of Links

Web Sites in Inorganic Chemical Thermodynamics An extensive list of links to software, databases, etc. in all branches of the subject.

Data and Property Calculation Sites compiled by Thermodynamics research Lab, UIC

Some other chemical equilibrium programs


The classic NASA program now called CEA is now freely available on filling out an application form. Also available are extensive thermodynamic data for species, selectable by the elements they contain. Note that these are in the new NASA polynomial form which is not compatible with Gaseq (or CHEMKIN).

Chemical Equilibrium Calculator An On-line calculator - a bit cumbersome to use. A wrapper for a subset of Stanjan.


Stanjan A general purpose multiphase tool which appears to be no longer freely available. The author Bill Reynolds died in January 2004. A version was rewritten to use the CHEMKIN subroutines - under the name EQUIL or or DEQUIL. The latest version of CHEMKIN is commercial, although version II used to be free. It is very difficult to find now.

TEP for Windows. A Combustion analysis tool. NASA Lewis chemical equilibrium computer program is the underlying solver

HSC Chemistry by Outokumpu Research. Inorganic bias, 8000 species database

REACT Balances equations, calculates changes in free energy etc. for reactions, equilibrium calculations. DOS program. Journal of Chemical Education Software

EQS4WIN MS Windows chemical equilibrium program. Wide applicability for solution and gas-phase. It will also handle equilibrium constant/reaction data, restricted equilibrium, etc. and it has an extensive database. A lite version with some demonstration example files can be downloaded free.

REACT! A Windows program which calculates chemical equilibria in systems containing mixtures of ideal gases and immiscible solids. It also balances chemical reactions and computes equilibrium constants. A free demo version can be downloaded.

ChemSage Aimed mainly at Metallurgy. Free Demo version and the instructional ChemTeach are available.

OLI's Aqueous Electrolyte Model

Thermodynamic databases for Gaseq

On Joe Shepard's pages are database files in a suitable form, which can be downloaded. A slightly extended version of one of them, thermo.dat, is included with the Gaseq program.

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