A short description of each database is given below, while fuller information can be obtained by clicking on the codename (in blue) for the database of interest.
The FactPS and SGPS Pure Substances Databases contain critically assessed values for 4777 and 3768 pure substances, respectively, in the condensed and gaseous states. FactPS originates from the FACT Group in Montreal and SGPS from the collaborative work within SGTE (Scientific Group Thermodata Europe).
There is a large amount of overlap between the two databases, which allow both calculation of chemical equilibria as well as enthalpy changes for reactions between pure stoichiometric substances – i.e. no solution of one substance in another is allowed in the calculations when using these two databases.
As a rule of thumb, the FactPS Database is best used together with the FS- and FT-listed databases and the SGPS Database together with the SG-listed databases to ensure full compatibility when carrying out calculations which include solution phases in alloy, oxide, salt or aqueous systems.
The alloy databases available for use with FactSage have been developed to allow multicomponent, multiphase calculations relating to the production, refining, alloying and application of different groups of alloys.
The steel database, FSstel, is used world-wide throughout all branches of the steel industry to carry out calculations relating to e.g.
The elements included in the database for calculations relating to specific types of steels and steel processes are
Fe - Al, B, Bi, C, Ca, Ce, Co, Cr, Cu, Hf, La, Mg, Mn, Mo, N, O, Nb, Ni, P, Pb, S, Sb, Si, Sn, Ta, Te, Ti, V, W, Zn, Zr
The light alloy database, FTlite, has been developed to enable calculations related to the production and constitution of a wide range of existing and potential Al- and Mg-based alloys, as well as to a smaller range of Ti-based alloys and Li-Na-K-based mixtures.
The database has been developed as a result of collaboration with a number of industrial partners and is the most extensive light alloy database of its type world-wide.
The elements included in the database are (major components in bold)
Al – Ag, As, Au, B, Ba, Be, Bi, C, Ca, Ce, Co, Cr, Cu, Dy, Er, Eu, Fe, Ga, Gd, Ge, H, Hf, Hg, Ho, In, K, La, Li, Lu, Mg, Mn, N, N, Na, Nb, Nd, Ni, O, P, Pb, Pr, S, Sb, Sc, Si, Sm, Sn, Sr, Ta, Tb, Ti, Tm, V, W, Y, Yb, Zn, Zr
Mg – Ag, Al, B, Ba, Be, Bi, C, Ca, Ce, Cr, Cu, Dy, Er, Eu, Fe, Gd, Ge, H, Ho, In, K, La, Li, Lu, Mn, Na, Nd, Ni, Pb, Pr, Sb, Sc, Si, Sm, Sn, Sr, Tb, Ti, Tm, V, Y, Yb, Zn, Zr
The non-oxide, refractory materials database, SpMCBN, is a brand new database from The Spencer Group, developed as a result of the continually increasing demand for materials capable of withstanding ever higher temperatures and corrosive gaseous environments. Some examples of use are in furnace construction, high-temperature coatings, cutting tools, abrasives, aircraft brake linings, rockets, jets, turbines, and nuclear power plants.
The Database contains assessed thermodynamic parameters for binary and ternary alloys of high-temperature materials containing carbon, nitrogen, boron, and silicon. The alloys include Me1-Me2-C, Me1-Me2-N, Me1-Me2-B, Me1-Me2-Si, Me-C-N, Me-C-B, Me-C-Si, Me-N-B, Me-N-Si and Me-B-Si systems.
The elements included in the database are
B, C, N, Si with
Al, Ca, Co, Cr, Fe, Hf, Mg, Mn, Mo, Nb, Ni, Re, Sc, Ta, Tc, Ti, V, W, Y, Zr
The database, FScopp, has been developed with the major aim of facilitating calculations which provide a sound basis for copper production and refining processes. However, copper-rich solid phases are also included in the database to allow calculation of liquidus temperatures and solidification characteristics relevant to the casting of certain copper-rich alloys.
The elements included in the database are
Cu – Ag, Al, As, Au, Ba, Be, Bi, C, Ca, Cd, Ce, Co, Cr, Fe, Ga, Ge, In, Li, Mg, Mn, Nb, Nd, Ni, O, P, Pb, Pd, Pt, Pr, S, Sb, Se, Si, Sm, Sn, Sr, Te, Ti, Tl, V, Y, Zn, Zr
The database, FSlead, has been developed with the major aim of facilitating calculations which provide a sound basis for lead production and refining processes. However, lead-rich solid phases are also included in the database to allow calculation of liquidus temperatures and solidification characteristics relevant to the casting of certain lead-rich alloys.
The elements included in the database are
Pb – Ag, Al, As, Au, Bi, C, Ca, Cd, Cu, Fe, Ga, Ge, Hg, In, Mn, Ni, O, Pd, S, Sb, Se, Si, Sn, Sr, Te, Tl, Zn, Zr
The noble metal alloy database, SGnobl, finds use in a wide variety of applications, e.g. jewelry and decoration, electronic components, micro-electronic contact materials, solders and brazes, dental alloys, fission products, catalysts, scientific equipment such as thermocouples, crucibles, calorimeters, etc., etc.
Because of their value, noble metal alloys undergo extensive recycling. For this reason, information on dilute ranges of impurity elements in precious metals is important with respect to different methods of refining.
The elements included in the database are
alloyed amongst themselves and also, in specific alloys with
Al, As, B, Ba, Be, Bi, C, Ca, Cd, Ce, Co, Cr, Cu, Dy, Fe, Ge, Hf, In, Mg, Mo, Nb, Ni, Pb, Re, Sb, Si, Sn, Ta, Tc, Te, Ti, Tl, V, W, Zn, Zr.
This database, FSupsi, contains assessed data primarily for the liquid state of silicon-rich alloys, with the particular aim of enabling calculation of impurity concentration levels in ultra-pure silicon. Data for some elements in solid silicon are also included, although assessed data for solid Si-rich alloys are fewer and less reliable.
The elements included as impurities in liquid silicon are:
Ag, Al, Au, B, Bi, C, Ca, Co, Cr, Cu, Fe, Ge, H, Hf, In, Li, Mg, Mn, Mo, N, Ni, O, P, Pb, Ru, Sb, Sn, Ta, Ti, V, W, Y, Zn, Zr
The elements included in the Si-rich solid solution are:
B, C, Ge, N, Sn, Ti, Zn
The assessed data in SGsold originate from COST Action 531 – Atlas of Phase Diagrams for Lead‐Free Soldering, whose main objective was "...to increase the basic knowledge on possible alloy systems that can be used as lead‐free solder materials and to provide a scientific basis for a decision which of these materials to use for different soldering purposes in order to replace the currently used lead‐containing solders in the future".
The scope of the database is a set of very thoroughly assessed thermodynamic data for alloys formed from among the 11 elements
Ag, Au, Bi, Cu, In, Ni, Pb, Pd, Sb, Sn and Zn
TThis present version of the SGTE Solution Database represents a significantly upgraded general alloy database. The database is intended to provide a sound basis for calculations relating to the production, heat treatment, constitution, and application of a wide range of alloy types.
All the 577 assessed binary systems included in the SGTE alloy database are described over all ranges of composition and temperature, i.e. the assessed data provide a good description of the complete phase diagrams and thermodynamic properties for the binary alloy systems concerned.
A large number of ternary interaction parameters are also included for the different phases in the database, but these are, in many cases, associated only with phases rich in a particular metal. As such, care should be exercised in calculating phase equilibria for other composition ranges of multi-component alloys.
The 78 elements included in the database are:
Ag, Al, Am, As, Au, B, Ba, Be, Bi, C, Ca, Cd, Ce, Co, Cr, Cs, Cu, Dy, Er, Eu, Fe, Ga, Gd, Ge, Hf, Hg, Ho, In, Ir, K, La, Li, Lu, Mg, Mn, Mo, N, Na, Nb, Nd, Ni, Np, O, Os, P, Pa, Pb, Pd, Pr, Pt, Pu, Rb, Re, Rh, Ru, S, Sb, Sc, Se, Si, Sm, Sn, Sr, Ta, Tb, Tc, Te, Th, Ti, Tl, Tm, U, V, W, Y, Yb, Zn, Zr
The FToxid Database has been developed to include all the most important and many minor components of the slag phases used in metal production and refining. In particular, assessed thermodynamic data are available for slags used in steelmaking and the stored data also allow for phosphate, fluoride, sulphate and sulphide contents of the slags.
Many of the important components of the slags are also important in glass manufacture, so that the database can be used to carry out calculations related to glass production. At the same time the stability and stable compositions of many ceramic, heat-resistant materials used e.g. for furnace and crucible linings and oxide coatings can also be investigated using the FToxid Database.
The FToxid databases contain data for pure oxides and oxide solutions of 20 elements (as well as for dilute solutions of S, SO4, PO4, H2O/OH, CO3, F, Cl and I in the molten (slag) phase.)
The major components in the database are
Al2O3, CaO, FeO, Fe2O3, MgO, and SiO2
As2O3, BaO, B2O3, CoO, CrO, Cr2O3, Cu2O, K2O, MnO, Mn2O3, Na2O, NiO, P2O5, PbO, SnO, TiO2, Ti2O3, ZnO and ZrO2
as minor components.
The Salt Database, FTsalt, has been under development for over 30 years. It finds wide application in such areas as e.g. metal extraction and refining, and in prediction of unwanted species resulting from combustion and waste incineration processes. During the period 2000-2003, major additions and modifications were made as part of the FACT Database Consortium Project with funding from the Natural Sciences and Engineering Research Council of Canada and 15 industrial partners.
The FTsalt database contains data for pure salts and salt solutions of
29 cations - Li, Na, K, Rb, Cs, Mg, Ca, Sr, Ba, NH4, Mn, Al, Fe(II), Fe(III), Co, Ni, Zn, Pb, La, Ce, Nd, Th, U(III), U(IV), Pu(III), Pu(IV), Cr(II), Cr(III), Mo(V)
and 8 anions - F, Cl, Br, I, NO3, OH, CO3, SO4
as well as for dilute solutions of O2- and OH- in the molten salt phase.
The FThelg database contains infinite dilution properties for over 1400 aqueous solute species taken from the GEOPIG-SUPCRT Helgeson public database. These incorporate the Helgeson equation of state for temperatures up to 350oC and pressures up to 165 bar.
The database is widely used to calculate E-pH diagrams and can be used in combination with the alloy databases to investigate aqueous corrosion characteristics of alloys of varying composition.
The solution FThelg-AQID assumes an ideal dilute solution and is generally valid up to approximately 0.001 molal.
The solution FThelg-AQDH incorporates the Debye-Huckel equation, and is generally valid up to approximately 0.02 molal.
The solution FThelg-AQDD incorporates the extended Debye-Huckel (Davies) equation and is generally valid up to 0.5 molal.
The database contains data for 185 pure solid compounds and gases which are thermodynamically consistent with the FThelg aqueous solution database.
The FTnucl database is a new release in FactSage 7.0 and has been developed to allow calculations relating to the development of advanced nuclear fuels and for estimating the thermodynamic behavior and phase relationships involving fission products.
The data have been assessed according to the structure
Th, U, Np, Pu, Am
Zr, Fe, Ru, Ba
Li, Na, K, Rb, Cs
C, N, O, I
He, Ne, Ar, Kr, Xe, Rn
(carbonates, nitrates, nitrites, cyanides, iodates, cyanates and the solubility of noble gases are not included in the molten state).
The FTpulp Database has been developed to allow calculations relating to the molten and solid alkali salts associated with the combustion of black liquor in the recovery boiler of pulp and paper mills. It has further application to combustion and corrosion related processes in biomass combustion.
The FTpulp Database is a self-contained database for the Na-K-S-C-O-Cl-H system. No additional phases from other databases are needed for calculations in this 7-component system.
The FACT Fertilizer Database, FTfrtz, allows calculations related to the production of nitrate-based fertilizers from hydrous to anhydrous conditions. It can also be used for calculating the thermodynamic properties and phase equilibria in the fertilizer products, and for some explosives.
The FTfrtz database contain data for pure salts and salt solutions based on the family of ammonium nitrate (AN, NH4NO3), mono-ammonium di-hydrogen phosphate (MAP, NH4H2PO4), ammonium chloride (AC, NH4Cl) and ammonium sulfate (AS, (NH4)2SO4) fertilizers with additions of their corresponding potassium salts (and in some cases sodium salts). The model covers the addition of roughly up to 50% weight of water (H2O). The liquid model for ammonium di-hydrogen phosphate (MAP, NH4H2PO4) also includes the dimerization reaction to form (NH4)2H2P2O7:
2 NH4H2PO4(liq.) « (NH4)2H2P2O7(liq.) + H2O(liq. or gas)
Other databases are available for application to specific groups of materials. There may be some overlap of their content with the content of the databases listed above.
For further information, reference should be made to the databases
FTmisc, FTOxCN, SGnucl, TDnucl, TDmeph
under “Documentation” at www.factsage.com.