Data for Application
This site will help you to decide which thermodynamic database you need for your application.
If you are unsure, which of several possible databases to choose, please consult the links and contact us!
The following list is divided into pure substances, metallic solutions, non-metallic solutions, aqueous solutions and processing. However, each of the categories is non-exclusive, meaning that e.g. the steel database naturally also has to contain non-metallic elements (C, N, O, P, S) but these should be present only in small concentrations in a calculation.
1. Pure substances
We offer two pure substance databases: The SGTE pure substances [SGPS] and the FACT pure substances [FactPS]. Both databases do not contain any information about solutions, but are huge compilations of thermodynamic data: The Gibbs energy functions of thousands of substances are included in each. Both databases include an extensive description of the gas phase, even including charged gas species (plasma). The FACT pure substances database also includes data on aqueous solutions.
2. Metallic solutions
The SGTE solutions database [SGTE] is the largest available database for metallic solutions, including 79 elements and 317 solution phases. The SGTE solutions database is therefore the database of choice for all materials design efforts where no specialized database is available or for customers who want to use a single database for thermodynamic calculations of different metallic materials, e.g. for High Entropy Alloys.
We also offer specialized databases for
- Steels [FSstel],
- Light Aluminium, Magnesium or Titanium alloys [FTlite],
- Copper alloys [FScopp],
- Noble metal alloys [SGnobl],
- Lead alloys [FSlead],
- Solder alloys [SGsold],
- Ultrapure Silicon [FSupsi] and
- Nuclear materials [FTnucl], [SGnucl], [TDmeph], [TDnucl],
- miscellaneous metals [FTmisc], inclduing liquid steels, Cu, Pb, Zn, Sn and the system Hg-Cd-Zn-Te.
The Spencer Group Carbide-Nitrode-Boride-Silicide database [SpMCBN] is interesting for users who are interested both in metallic as well as refractory systems since it expands the (metallic) SGTE solutions database to refractory materials.
3. Non-metallic solutions
In FactSage, the worldwide largest database for oxides (FToxid] is available, including 20 elements, 70 solutions and nearly 400 compounds. This database is the prefered choice e.g. for calculations of slag-liquid metal equilibria (with the corresponding metallic solutions database) and can even be used to calculate viscosity of the slag!
The best description for liquid steel to calculate equilibria with the slag is contained in the miscellaneous database [FTmisc]. This database also contains data to calculate inclusion formation in steelmaking and hot corrosion. Additionally, Cu-, Pb- and Zn- smelting and processing can be calcualted, including matte/slag/metal/speiss equilibria. Furthermore, the database contains an aqueous solution (see below).
The salt database [FTsalt] is also the largest available thermodynamic database in the field. In total 79 solutions and 221 copounds are available that consist of 29 cations and 8 anions.
For the system Al-(Si-Ca-Mg-Fe-Na)-C-O-N-S at very high temperatures, the oxycarbonitride database [FTOxCN] should be used.
As indicated above, the Spencer Group Carbide-Nitrode-Boride-Silicide database [SpMCBN] is ideal for refractory materials.
4. Aqueous solutions
There are several databases that contain aqueous solutions:
- The Fact Pure Substances database [FactPS] contains data for 942 components in an ideal aquesous solution.
- The miscellaneous datbase [FTmisc] contains a non-ideal aqueous solution with Pitzer parameters for 96 solutes.
- The Helgeson Database [FThelg] contains ideal and non-ideal aqueous solutions for 1400 aqueous solutes but only for small concentrations. This database can be used up to 350°C and 165 bar.
To answer many processing questions, databases have to be combined, e.g. the oxides database for an excellent description of slag has to be combined with corresponding databases containing liquid metal solutions, in order to calculate slag-liquid metal equilibria. Beyond that, we offer few databases that are specialized for one process:
- Alumina reduction electrolysis cells can be modelled using the Hall-Héroult Database [FThall], which allows calculations of equilibria between liquid metal, cryolitic bath and Al2O3-based oxides. Furthermore, density and viscosity can be obtained.
- While for many users of FactSage this might be surprising, there are also applications and specialized databases besides metals and metal compounds: The first is a database for the production of nitrate based fertilizers [FTfrtz] that could also be used for some explosives.
- Finally, there is a database for pulp and paper processing [FTpulp] that can also be used for modelling combustion and corrosion-related processes in biomass combustion.