What's New in FactSage 6.3

(Revised May 2012)

The FactSage 6.3 Update/Installation program permits you to upgrade/refresh any version of FactSage to FactSage 6.3. You can also install FactSage 6.3 directly on to a new PC.

Major modifications and additions have been carried out. What follows is a list of the more important programming and database changes in FactSage 6.3 (2012) with respect to FactSage 6.2 (November 2010).


  • FactSage 6.3 News
  • FactSage 6.3 Update/Installation/Menu
  • FactSage Tools Menu

  • General

  • Documentation

  • Compound

  • Solution

  • Predom
      Minor changes have been made to the Predom/EpH module. Bugs reported in FactSage 6.2 included 3-metal metallic ratios R1 and R2 could not be changed; species unselected with the 'List' button were automatically reselected. In FactSage 6.3 these have been corrected.

  • EpH

  • Equilib
  • Fact-XML

  • FactOptimal
  • Fact-Function-Builder

  • Phase Diagram

  • Viscosity
      The Viscosity module was introduced in FactSage 6.2. It contains viscosity models for two different oxide solution phases: melts and glasses

      • The module requires access to slag phase data stored in the FToxid database. If this database is missing then the module is disabled.

      • The melts phase contains Al2O3-B2O3-CaO-FeO-Fe2O3-K2O-MgO-MnO-Na2O-NiO-PbO-SiO2-TiO2-Ti2O3-ZnO-F.

        The melts viscosity data are valid for liquid and supercooled slags with viscosities which are not too high, that is when log10(viscosity, Poise) is less than about 7.5 or ln(viscosity, Pa·S) < 15. In most cases this corresponds to temperatures above about 900oC.

        The melts viscosity data have been improved for the PbO-containing systems. In particular, the viscosity of lead crystal glass melts is described better.

      • The glass phase contains Al2O3-B2O3-CaO-K2O-MgO-Na2O-PbO-SiO2

        The glass viscosity data can be used at and below the glass transition temperatures. In principle, these data are valid over the whole temperature range from liquid melts to glasses, but sometimes they may be slightly less accurate for liquid slags than the melts data.

        The glass viscosity data have been completely reoptimized to improve the accuracy over the whole temperature range from liquid melts to glasses. However, the melts data are still more accurate than the glass data for temperatures above the liquidus.

      • The data and software have been modified to allow calculations of the viscosity in the fluorine-containing systems even when alkali and alkali-earth oxides are not present.

      • For network installations the Viscosity module can now be accessed from Client workstations.
  • Databases

    • ELEM - the FACT Elements Database

      • ELEM is the database of elements using data from FactPS (see next). There is no need to select the ELEM database ('Data Search') in your calculations. If elemental data are required by the program it will automatically retrieve the data from this database.

    • FactPS (formally Fact53) - the FACT Pure Substances Compound Database

      • FactPS is the new name for the Fact53 compound database. This is the compound database for use with other FACT databases (FToxid, FTsalt, etc.). All stored calculations (e.g. Equi*.dat, Phas*.dat, etc. files) that used Fact53 will now automatically access FactPS - there is nothing to edit or change.

      • The following compounds have been removed from the FactPS database in FactSage 6.3:

        Al29Mg21 Al8Mg5 AlS (s,l)
        Na2S3 Nb4C3 V5B6

      • Data for the following compounds in FactPS have been updated in FactSage 6.3 based upon more recently available data:

        Al2 Al2Ca Al2O2
        Al2O3 (Al2O3)(SiO2)2(H2O)2 Al2Sr
        Al3Ni Al4Ca Al4Ce
        Al4Sr Al7Sr8 AlC
        AlO2 AuPb2 AuSn
        AuSn2 B2Cr B2Mn
        B2Ti B2V B2V3
        B3V2 B4V3 BCr
        BFe BTi BV
        C3H4 C3H6 C4H8
        C5H8 C6H12 C7H14
        C8H10 Ca(NO3)2 Ca(NO3)2(H2O)2
        Ca(NO3)2(H2O)3 Ca(NO3)2(H2O)4 Ca2
        Ca2Si Ca3(AsO4)2 CaCO3
        CaSi CaSi2 CCl3Br
        CF2CFCl CF2CHCl CH2CF2
        CNb Co3Nb Co3W
        CoSi Cr23C6 Cr3C2
        Cr5Si3 Cr7C3 CrF2
        CrF3 CTi Cu2Mg
        DOCl Fe10S11 Fe11S12
        Fe2B Fe2P Fe3C
        Fe3P Fe3Si7 Fe7S8
        FeO4P FeP FeSi
        FeSi2 FeTi GdCl3
        K2CrO4 KAl(SO4)2 KH2PO4
        KNO3 Mg17Sr2 Mg2
        Mg2Ca Mg2Si Mg2Sr
        Mg23Sr6 Mg38Sr9 MgB2
        MgB4 Mn3Si Mn5Si3
        MnSi Mo2B Mo3Si
        Mo5Si3 MoB MoB2
        MoB4 MoC MoF5
        N4Si3 NaAlSi2O6 Nb2C
        (NH4)2SO4 (NH4)H2PO4 NH4Cl
        NH4NO3 Ni2Si Ni3Ti
        Ni4B3 Ni4W NiF2
        NiTi2 O2F P2S5
        PuF3 PuF4 Rb2O
        Si2 Si2C Si2V
        Si3 Si3Ta5 Si3V5
        SiC SiC2 SiO
        SiO2 SiTa2 ThF4
        UF3 UF4 UF5
        WC

         

      • The following new compounds have been added to the FactPS database in FactSage 6.3:

        AgClO3 Al2C2 AlAsO4
        AlC2 As4S4 AsO
        Au3AsO4 Ba2Sn Ba3(AsO4)2
        Be3(AsO4)2 BiBr Br2O
        BrO2 BrO3 C12H4Cl4O2
        C2Cl C2Cl3 C2Cl5
        C2F C2F2Cl2 C2F3
        C2F5 C2FCl C2FCl3
        C2H2FCl C2H3F C2HFCl2
        Ca2Sn CaAl2B2O7 CaCN2
        CaHPO4 CaSn (CaSO3)2(H2O)
        CBr2 CBr2I2 CBr3
        CBr3I CBrI3 CCl2Br2
        CCl2BrI CCl2I2 CCl3I
        CClBr2I CClBr3 CClBrI2
        CClI3 CF2Br2 CF2BrI
        CF2Cl CF2ClBr CF2ClI
        CF2I2 CFBr2I CFBr3
        CFBrI2 CFCl CFCl2
        CFCl2Br CFCl2I CFClBr2
        CFClBrI CFClI2 CFI3
        CH2Br2 CH2BrI CH2Cl
        CH2ClBr CH2ClI CH2F
        CH2FBr CH2FI CH3O
        CHBr2I CHBrI2 CHCl2
        CHCl2Br CHCl2I CHClBr2
        CHClBrI CHClI2 CHF2
        CHF2Br CHF2I CHFBr2
        CHFBrI CHFCl CHFClBr
        CHFClI CHFI2 Cl2O2
        ClO3 COOH Cr3(AsO4)2
        CrAsO4 CrBr3 CrBr4
        CrNaO2 Cs3AsO4 Cu3AsO4
        Cu3Br3 Cu3I3 CuMoO4
        DyBr3 DyF3 DyI3
        ErBr3 ErF3 ErI3
        EuBr2 EuBr3 EuF3
        F2O2 Fe(VO3)2 Fe3(AsO4)2
        FeAsO4 FeNaO2 FeV2O4
        Ga2Cl6 GaAsO4 GaCl2
        GaF GaF2 GdBr3
        GdF3 GeCl2 GeCl3
        GeF GeF3 HCCN
        HClCO HfBr4 HfI4
        Hg3(AsO4)2 HoBr3 I2O
        In2Cl6 In2O InAsO4
        InF InF2 InF3
        IO2 IO3 K3Al2Cl9
        K3AlCl6 K3AsO4 K4Ca(NO3)6
        KAl(SO4)2(H2O)3 KCa(NO3)3(H2O)3 KCa5(NO3)11(H2O)10
        LaAsO4 Li2NiF4 Li3AsO4
        Li3CrF6 Li3PuF7 Li3ThF7
        Li3UF7 Li4PuF8 Li4UF8
        Li7Pu6F31 Li7Th6F31 Li7U6F31
        LiAlSi2O6 LiAlSiO4 LiFeO2
        LiPu2F9 LiPu4F17 LiTh2F9
        LiTh4F17 LiU2F9 LiU4F17
        Mg(NO3)2 Mg3(AsO4)2 Mn2P
        Mn3(AsO4)2 Mo4O11 Mo8O23
        Mo9O26 MoAsO4 Na3AlCl6
        Na3AsO4 Na3VO4 NaVO3
        NdBr3 (NH4)4SO4(NO3)2 (NH4)5SO4(NO3)3
        (NH4Cl)3NaNO3 Ni20Se21 Pb2I4
        Pb3(AsO4)2 PrBr3 PrF3
        Rb2SO4 Rb3AsO4 (RbCl)2
        (RbF)2 RbO2 ReAsO4
        RhCl2 Sb2S4 Sb3S2
        Sb4S3 SbCl SbF
        SbO ScAsO4 Sn3(AsO4)2
        SnCl SnF SnF2
        (SnI2)2 SnI4 TaCl
        TaCl2 TbBr3 TmBr3
        TmF3 TmI3 UBr5
        UO2(NO3)2 UO2SO4 W10O29
        W18O49 Zn3(PO4)2

         

    • FTdemo - the FACT Demonstration Database

      • FTdemo is the new name for the old FACT slide show database developed around 2001. Although FTdemo is part of FACT Package of Databases, it is for demonstration calculations only. It should be used only for teaching - for example with the slide shows.

      • For calculations where the results are important, you must NOT use the FTdemo database. Use the FactPS compound database and the FToxid, FTsalt, etc. databases. For detailed information on the FactPS, FToxid, FTsalt, etc. databases go to the FactSage Main Menu and click on 'Documentation'.

    • FTfrtz - the FACT Fertilizer Database

      • FTfrtz is a new database that has been added to the FACT Package of Databases.

      • It is used for 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 compounds and solutions contain data for 26 pure salts and 14 salt solutions based on the family of ammonium nitrate (NH4NO3), ammonium di-hydrogen phosphate (NH4H2PO4), ammonium chloride (NH4Cl) and ammonium sulfate ((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 wt.% water (H2O).

      • For detailed information go to the FactSage Main Menu and click on 'Documentation > FTfrtz ...'.

    • FThall - the FACT Hall Aluminum Database

      • Al4C5 has been added, and those pure solid metallic compounds (except Al) and solid metallic solutions for which the data are considered to be out-of-date have been removed.

    • FTmisc - the FACT Miscellaneous Database

      • All compounds and solutions of the former "Light Metals' subsection of FTmisc have been removed. (These include the solutions FTmisc-LMLQ, FTmisc-FCC, FTmisc-BCC, FTmisc-AlMg and FTmisc-MgSS, and the stoichiometric compounds Al8Mg5, Al29Mg21, Mg2Si, MgC2, Mg2C3, Al4C3 and SiC.) These data are out-of-date and have been superseded by the data in the FTlite (and FSlite) database.

    • FTOxCN - the FACT High-Temperature Oxycarbonitride Database

      • FTOxCN is a new high-temperature database of Oxycarbonitride phases that has been added to the FACT Package of Databases.

      • It is used designed for performing equilibrium calculations in the Al-(Si-Ca-Mg-Fe)-O-C-N system at very high temperatures.

      • For detailed information go to the FactSage Main Menu and click on 'Documentation > FTOxCN ...'.

    • FTsalt - the FACT Salt Database

      • The database has been updated with 20 new solution phases and associated compounds in the nuclear system LiF, PuF3, PuF4, ThF4, UF3, UF4, (NiF2-CrF2-CrF3-MoF5).

    • FScopp - the FactSage Copper Alloy Database

      • In FactSage 6.3 phase selection has been simplified by introducing specific modifications in the FScopp database files. These modifications are new to FScopp and are intended to simplify automatic species and phase selection. The selection of certain solution phases now automatically assigns two-phase immiscibility (I-option) in those cases where this is deemed appropriate. Furthermore, certain solution phases will not be shown on the menu pages of the Equilib or Phase Diagram modules, and hence cannot be selected, if components essential to that phase are missing in the input reactants.

      • Consequently, with FactSage 6.3, loading a private Phas*.dat or Equi*.dat file, stored previously using an earlier version of FactSage, and containing a now restricted phase, may result in the message "The following solution phase could not be located ..." being generated. In such cases, calculations can still be made as before since the restricted phase is not stable in any case as shown from previous calculations.

      • In the new solution database, one or two solution phase names have been changed. If, upon loading a private Phas*.dat or Equi*.dat file, stored previously using an earlier version of FactSage, the message "The following solution phase could not be located ..." appears, and if it is known from previous calculations that the missing phase is actually stable, then reference to the phase diagram stored in the documentation will permit the new phase name to be determined.

    • FSlead - the FactSage Lead Alloy Database

      • Parameters for the Cd-Pb system have been revised.

      • In FactSage 6.3 phase selection has been simplified by introducing specific modifications in the FSlead database files. These modifications are new to FSlead and are intended to simplify automatic species and phase selection. The selection of certain solution phases now automatically assigns two-phase immiscibility (I-option) in those cases where this is deemed appropriate. Furthermore, certain solution phases will not be shown on the menu pages of the Equilib or Phase Diagram modules, and hence cannot be selected, if components essential to that phase are missing in the input reactants.

      • Consequently, with FactSage 6.3, loading a private Phas*.dat or Equi*.dat file, stored previously using an earlier version of FactSage, and containing a now restricted phase, may result in the message "The following solution phase could not be located ..." being generated. In such cases, calculations can still be made as before since the restricted phase is not stable in any case as shown from previous calculations.

      • In the new solution database, one or two solution phase names have been changed. If, upon loading a private Phas*.dat or Equi*.dat file, stored previously using an earlier version of FactSage, the message "The following solution phase could not be located ..." appears, and if it is known from previous calculations that the missing phase is actually stable, then reference to the phase diagram stored in the documentation will permit the new phase name to be determined.

    • FSstel - the FactSage Steel Alloy Database

      • The database has been updated to incorporate new assessed data for the following binary systems:

        C-Zr, Hf-Nb, Hf-V, Hf-W, Hf-Zr, Nb-Ta, Ta-V, Ta-Zr, Ti-Zr, V-W, V-Zr, W-Zr

        and for the following ternary and quaternary systems:

        Al-C-Fe, Al-C-Mn, Al-C-Fe-Mn, C-Hf-Nb, C-Hf-W, C-Nb-Ta, C-Nb-Ti, C-Nb-V, C-Nb-W, C-Nb-Zr, C-Ta-W, C-Ti-W, C-V-W, C-W-Zr.

        Parameters for the Cd-Pb system have been revised.

      • In FactSage 6.3 phase selection has been simplified by introducing specific modifications in the FSstel database files. These modifications are new to FSstel and are intended to simplify automatic species and phase selection. The selection of certain solution phases now automatically assigns two-phase immiscibility (I-option) in those cases where this is deemed appropriate. Furthermore, certain solution phases will not be shown on the menu pages of the Equilib or Phase Diagram modules, and hence cannot be selected, if components essential to that phase are missing in the input reactants.

      • Consequently, with FactSage 6.3, loading a private Phas*.dat or Equi*.dat file, stored previously using an earlier version of FactSage, and containing a now restricted phase, may result in the message "The following solution phase could not be located ..." being generated. In such cases, calculations can still be made as before since the restricted phase is not stable in any case as shown from previous calculations.

      • In the new solution database, one or two solution phase names have been changed. If, upon loading a private Phas*.dat or Equi*.dat file, stored previously using an earlier version of FactSage, the message "The following solution phase could not be located ..." appears, and if it is known from previous calculations that the missing phase is actually stable, then reference to the phase diagram stored in the documentation will permit the new phase name to be determined.

    • FSupsi - the FactSage Ultrapure Silicon Database

      • Parameters for SiC and the liquid phase have been modified to reflect more recent data on the solubility of SiC in liquid Si.

    • SGPS - the SGTE Pure Substances Compound Database

      • The compound database has been updated and several hundred new pure substances have been added.

    • SGTE (2011) - the SGTE 2011 Alloy Database.

      • The database has been updated.

    • SGnobl - the SGTE Noble Metal Alloy Database.

      • In FactSage 6.3 phase selection has been simplified by introducing specific modifications in the SGnobl database files. These modifications are new to SGnobl and are intended to simplify automatic species and phase selection. The selection of certain solution phases now automatically assigns two-phase immiscibility (I-option) in those cases where this is deemed appropriate. Furthermore, certain solution phases will not be shown on the menu pages of the Equilib or Phase Diagram modules, and hence cannot be selected, if components essential to that phase are missing in the input reactants.

      • Consequently, with FactSage 6.3, loading a private Phas*.dat or Equi*.dat file, stored previously using an earlier version of FactSage, and containing a now restricted phase, may result in the message "The following solution phase could not be located ..." being generated. In such cases, calculations can still be made as before since the restricted phase is not stable in any case as shown from previous calculations.

      • In the new solution database, one or two solution phase names have been changed. If, upon loading a private Phas*.dat or Equi*.dat file, stored previously using an earlier version of FactSage, the message "The following solution phase could not be located ..." appears, and if it is known from previous calculations that the missing phase is actually stable, then reference to the phase diagram stored in the documentation will permit the new phase name to be determined.

    • Public Databases

        Screenshot showing the summary of public databases in FactSage 6.3.

      FactPS, ELEM and SGPS are compounds-only databases.

      FTOxCN and FTfrtz are new additions to the FACT Package of Databases.

      FactPS, FTsalt, FScopp, FSlead, FSstel, SGPS, SGTE and SGnobl have been updated.

      For detailed database information go to the FactSage Main Menu and click on 'Documentation'.


    Previous FactSage Updates

    The following displays are only available if you have updated your installation with that particular version.

    What's New in:


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