Fully Integrated Commercial Databases and
Software Packages with Extensive
Chemical Equilibria and Phase Diagram Capabilities

Large Commercial Databases:  

- fusion of FACT-Win/F*A*C*T and ChemSage/SOLGASMIX thermochemical packages. Software, data and consulting services including Compound pure substances; Solution non-ideal solutions employing 10 different thermodynamic models; Reaction extensive state properties calculation; Predom isothermal predominance diagrams; EpH Pourbaix diagram; Equilib equilibrium calculations of up to 2400 species featuring ChemSage; Phase Diagram for calculating a variety of phase diagrams; OptiSage for optimizing phase diagram and thermodynaic data, etc., and more; access to F*A*C*T databases of over 5000 compounds and 80 non-ideal solutions of ceramics, salts, mattes, slags, etc. and to SGTE and FactSage alloy, light-metal, steel, noble-metal etc. databases; CRCT , Ecole Polytechnique, Montreal, Quebec, Canada and GTT-Technologies Aachen, Germany.
HSC Chemistry

MALT2 and an update


- the Metallurgical Thermochemistry Section of the National Physics Laboratory (the UK's national measurement standards laboratory) offers a wide range of services, software and databases. These include pure substances and solution databases for thermodynamic data on various materials such as light alloys, steels, ceramics, glasses, slags, mattes, salts, polymers, aqueous solutions and gases, and the MTDATA software/data package for the calculation of phase equilibria in multicomponent multiphase systems. MTDATA offers a suite of modules such as Utility, Multiphase, Binary, Gplot, Ternary, Thermotab, Unary, Coplot and Fit and Plot, which are available for most UNIX, VMS alpha VAX, and MS-DOS platforms. NPL is a member of SGTE (Scientific Group Thermodata Europe); National Physics Laboratory, Teddington, Middlesex, UK

- software, data and consulting services. Thermo-Calc is employed for all kinds of thermodynamic and phase diagram calculations, especially non-ideal phases and can calculate diagram sections with up to five independent variables, and many other types of diagrams for example CVD depositions, Scheil-Gulliver solidification simulations, partial pressures in gases etc. Databases include the SGTE database with about 200 solutions and 3000 compounds, IRSID database for slags, the Fe-base database for steels, the group III-V database for semiconductor materials, the Saxena geochemical database etc. Royal Institute of Technology, Stockholm, Sweden.

- software, data and consulting services featuring Thermdoc database of over 44000 bibliographic references; Thermocomp properties of over 4100 pure substances; Thermalloy properties of over 400 binary and 70 multicomponent systems; Coach for manipulating thermochemical properties of elements, substances and reactions; Gemini1 and Gemini2 for calculating the complex chemical equilibria; Thermodata, Domaine Universitaire de Grenoble, Saint Martin d'Hères, France.