Fully
Integrated Commercial Databases and
Software Packages with Extensive
Chemical Equilibria and Phase Diagram Capabilities
Large
Commercial Databases: |
FactSage
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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. |
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HSC
Chemistry |
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software and data package featuring 12 calculation modules
which access a thermochemical database of more than 15000
chemical species. The package includes Reaction Equations,
Heat Balances, Equilibrium Compositions, Formula Weights,
Phase Stability Diagrams, Eh - pH - Diagrams, H, S, Cp and
G Diagrams, Mineralogy, Units Conversion and Elements modules;
Outokumpu Research Oy Pori, Finland.
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MALT2
and an update |
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MTS-NPL
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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
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Thermo-Calc |
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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. |
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Thermodata
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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. |
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