• Click on 'Summary' for a summary of all databases. It now includes details of databases in folders other than \FACTDATA\.
  
  The list gives an overview of the names and types of the various databases available on the users PC, the files names of the databases and whether or not the database is already "linked" with FactSage.

• When you click on 'Add' to add a database to the list of databases accessible to FactSage, with solution ASCII files (ex: solution.dat) the program now checks to make sure the file does not contain illegal {Tab} settings. In such cases the positions of the offending tabs are listed.

• A new 'Trans.' tab has been added that lists the transition temperatures and corresponding enthalpy changes between the stable standard state phases. As before, these values can still be determined via the Reaction module. Transitions involving the dilute aqueous phase, aq, are ignored.
  
  The above screenshots show the new Trans. Tab and the resulting new table with transition temperatures, enthalpies and entropies as well as the jump in Cp on transition.

• The Slide Show has been edited to reflect some of the changes in FactSage 6.1.

• In the 'Tools' drop down menu, a new 'Fuel' option has been introduced. You can now create a compound with C, S and H. This compound will have a real stoichiometry that is calculated from the input mass composition of the fuel (C,S,H). An approximate integer stoichiometry is calculated for reactant input purposes in the Reaction an Equilib modules. You can also provide the 'Gross' or 'Net Heating Value' of the fuel. From this value, the enthalpy of formation of the fuel is calculated assuming full combustion at 25^oC to H2O(l or g), CO2(g) and SO2(g). The Cp is roughly estimated in order to adjust the enthalpy of the fuel compound if burned above 25^oC. This 'Fuel' option has been introduced to permit you to couple the heat and elemental mass balances for the combustion of fuels (i.e. adiabatic flame reaction under reducing or oxidizing conditions).

• New compressibility data stored incorrectly by 6.0 in private compound databases are now stored correctly in 6.1. Any entries made prior to 6.0 were already correct.

• The Solution Module cannot be accessed using Windows Vista - you get an error message. This problem is not unique to 6.1. It is present in earlier versions of FactSage but it has not been reported before. We are programming a completely new Solution Module that will be Vista friendly. It should be ready next year.

• In aqueous systems half-cell reactions with the electron, e[-](aq), are now permitted. For example 'Cu[++](aq) + 2e[-](aq) = Cu(s)'. In the Table Reaction Window the half-cell reaction potential is listed by clicking on the 'Output' drop down menu and selecting E(volts).
  
  The above screenshots show the input for the reaction including the electrons and the standard output.
  
  The above screenshot shows the selection of E (volts) for output as well as the result table when E(volts) and n=2 have been set for output.

• For isothermal reactions the equilibrium constant, K_eq, is only posted if the pressure units are either atm or bar (in which case the standard states are 1 atm and 1 bar respectively). This avoids confusion in cases where pressure is psi, Pa, etc. Also, the reported equilibrium constant is only dependent on the temperature and standard states (s, l, g) and not on the activities or partial pressure of the reactants as was the case in 5.5.

• The Slide Show has been edited to reflect new additions in FactSage 6.1 including aqueous half-cell reactions.

• In the List Window the Gibb's energies are now displayed as isothermal standard Gibb's energies of formation (and not absolute values) at the temperature used in the calculation.

• The original EpH algorithm was developed over 30 years ago. In 6.0 an error was reported with respect to the treatment of thermodynamic data for species that only have Gibb's energies at 25^oC and no Cp or H values. It turns out that the error was only in displaying the data - the treatment in 5.5 and earlier was always correct. That is, changes made to EpH in 6.0 were wrong and this often resulted in these aqueous species no longer appearing in the calculated diagram. In 6.1 the thermodynamic data for these species are employed as they were in 5.5 and earlier versions.

• In the List Window the Gibb's energies are now displayed as isothermal standard Gibb's energies of formation (and not absolute values) at the temperature used in the calculation.

• In the Reactants Window a new option has been added that automatically calculates the amount to balance reactants in a given stream. For example, let us say the reactants in steel stream #1 are '100 Fe + 0.1 C + 18 Cr' (or in oxide stream #2 are '1 CaO + 0.40 SiO2 + 0.05 Cr2O3'). Entering '? 100' for the amount of Fe ('? 1' for the amount of CaO) causes the program to calculate and specify the balance 81.9 Fe (0.55 CaO).
  
  The above screenshots show how use is made of the new ?-feature for two different streams (steel steam #1 and slag stream #2) in one Equilib input.

• In the Reactants Window the 'Edit' drop down menu now includes an option where all the reactants can be automatically re-ordered by increasing (or decreasing) amounts or molecular weights, or by stream #, or re-written in the corresponding amounts of the elements.
  
  The above screenshots show how the new 'Edit' sort option is initiated and the reactants are re-ordered in decreasing amounts.

• In the Menu Window, the Parameters Window has been reformatted - see the Phase Diagram module.

• In the Menu Window, checking 'include molar volumes' now displays additional data in the calculated output such as densities, etc.

• In the Menu Window new solidification algorithms have been added that list the details during the cooling calculations (Equilibrium or Scheil) including the phase and component compositions and amounts at the various transition temperatures. With the new method of storing intermediate results it is now possible to keep track of the solidification of a particular phase at each stage of the solidification process. Thus the user is enabled to see how this phase is distributed among the primary crystallisation products, as a precipitate inside other solid grains which have formed at intermediate stages, or in the final eutectic structure that is formed when solidification is finished.
  
  For solution phases (mainly for application with liquids) the new D-option is available. The above screenshots show how to make use of it.

  

  The above screen shows show the two new types of result tables which are available when the D-option is used. One summarises the phases and transition points while the other gives detailed information on the various transitions, e.g. the temperature ranges and the phase compositions.

  The numerical results of the calculations can be post-processed for plotting in the usual way. The following graph shows the 'fraction solid' plot including both the Scheil and the Equilibrium curve.

  

  The results from the calculation may also be used in another way in order to keep track of the various phases which are formed in the different temperature ranges. In the Summary screen the phases listed in conjunction with the various constituents (phase assemblages) can be used as direct input for further equilibrium calculations. By pointing and clicking product phases can be recycled through the calculation. This is particularly useful when investigating the behaviour of castings of complex alloy systems. See also example #16 in the Advanced Equilib examples.

  

  The above screenshots show how the transfer from the Summary screen to the Reactants screen is made and which compositions are used. From the Menu screen standard equilibrium calculations can be initiated.

• In the Results Window the FACT format has been completely revamped. For example, supplementary data are provided for the gas phase and stable solutions, solutions are ordered with respect to stability, quantities are aligned on the left, full names up to 40 characters (was truncated to 28) are listed for the compound species, etc. When 'initial conditions' is checked (see Reactants Window) both integral and delta integral (ex: H and Delta H, Cp and Delta Cp, etc.) values are now reported.

• In the Results Window the Cp includes both the contribution from the stoichiometric sum of the Cp values of all phases and as well as (this is new) the change in phase amounts within the phase assemblage.

• The Slide Show has been edited to reflect new additions in FactSage 6.1 including the reformatted Results output.

In the Equilib Results Window click on the XML Icon (or click on 'Output > Run Fact-XML ...'). Extensive changes and additions have been carried out, including

• the 10 most recent custom compositions are now saved
  
• properties such as Eh, Ph, Osmotic coefficient, molality, ionic strength, magnetic moment, critical temperature can be plotted
  
  
  The above screenshots show how use is made of the Thermodynamic Property selection menu in conjunction with the generation of a plot if the critical temperature of the FCC_A1 phase in the Fe-Ni system. Note that the anti-ferro magnetic part of the curve on the Fe-rich side as been manipulated by hand in order to give correct positive values.

• up to 10 multiple functions on the same graph can be plotted
  
• there is a new activity cut-off limit for solutions
  
  The above screenshots show the selection of a user defined Formula as y-axis, the choice of variables and the definition of the formula. Up to 10 different formulas can be defined. By use of the tick box in front of the formula the formula is selected for plotting.
  
  The above screenshot shows the resulting plot. Note the annotation in the diagram which gives full account of the variables and formula used. (The example is for a user defined function that is equal to the Eh value of an aqueous solution. The new version of the XML browser permits to select Eh directly as y-variable. See above.)

• the number of significant digits for thermodynamic data of phases can now be changed
  
• custom selection of composition variables. Sometimes the composition of a solution phase in the output of the Equilib module is expressed in terms of unusual, unwieldy or odd-looking components. The XML output now permits you to define the components you prefer.

• In the Menu Window you save the Phas*.dat file by clicking on 'File > Save as ...'. If the phase diagram has just been calculated you now have the option of saving the calculated figure (including any added labels, tie-lines, etc.) either within the Phas*.dat file or in a Phas*.fig file that has the same name (Phas*) but .fig extension. In either case, the next time you load the Phas*.dat file that has such a stored figure, you will be prompted 'Show the figure calculated last time?'.
  
  The above screenshots show the options when saving the record file Phas*.DAT and the confirmation of the name of the new figure file together with the path.
  
  The above screenshot is for such a case where the calculated figure has been stored and you are now reloading the stored Phas*.dat file. If you show the calculated figure you can then continue editing it (add labels, tie-lines, etc.) and store it again as shown previously.

• In the Variables Window (click on 'Variables' in the Menu Window) it is now possible to calculate and plot polythermal projections of the liquidus surfaces of ternary (and reciprocal salt) systems - in the 'Temperature Frame' select 'projection' from the combo menu (the other options are 'Y-axis', 'X-axis' and 'constant'). For both ternary Gibbs phase diagram and X versus Y reciprocal systems, the polythermal projection of the liquidus surfaces will appear as a series of isothermal lines and univariant lines (where the liquidus surfaces intersect). You can specify the upper and lower temperatures of the isothermal sections (or ask the program automatically calculate them for you) as well as the step in temperature.
  
  The above screenshots show the new option 'projection' in the Variables ‘Temperature Frame’. The temperature range can be user defined (top) or automatically calculated (right).

• In the Parameters Window (click on 'Parameters' in the Menu Window) new options are available for the display of the polythermal projections. For example, the minimum and maximum temperatures and all invariant points (compositions and temperatures) on the liquidus surface as well as the names of the intersecting phases can be tabulated. The projections may be color coded by temperature (hot 'red' colors at high temperatures down to cold 'blue' colors at low temperatures) or by phase.
  
  The above screenshot shows the new Parameter Window.

  The appearance of the calculated diagram is greatly influenced by the settings in this screen. The projections may for example be colour coded by temperature (hot 'red' colours at high temperatures down to cold 'blue' colours at low temperatures) or by phase. See below

• In plotted figure (click on 'Calculate' in the Menu Window) the optional status box now includes the time step (seconds) between calculations.

• After the phase diagram has been calculated, for polythermal projections the liquidus temperature at any composition (together with its precipitating phase) is automatically displayed by simply pointing the mouse to the appropriate coordinate on the figure.
  
  The above screenshots show the full liquidus surface and the ‘Phase Diagram’ frame setting for the generation of a diagram showing both univariant and isothermal lines (top) and the univariant lines only (bottom).

• Sample polythermal projections using FACT data may be loaded and displayed - click on 'Open > Change Directory' and select 'Polythermal Projections'. Alternatively, the calculated phase diagrams can also be displayed using the Figure module - the figures are stored as *.fig files in the \FIGURES folder of FactSage.

• The Slide Show has been edited to reflect new additions to FactSage 6.1 including Gibbs ternary polythermal projections of CaCl2-LiCl-KCl and Al2O3-CaO-SiO2, and a reciprocal salt polythermal projection of CaCl2-NaF-CaF2-NaCl.

• The 'Database' drop down menu that appears in many programs has been completely rewritten and simplified. A new 'Data Search' Window now appears where the data search options (gaseous ions, aqueous species, CxHy etc.) are displayed together with the selection of the databases. Adding and removing databases to and from the list is much simpler.
  
  The above screenshot shows the new Data Search screen. The selection of databases and data search options are now integrated into one screen.

• New documentation. By mistake the FToxid Database Documentation issued with 6.0 was for FactSage 5.5.
  
  
• Changes in Phase names:
  
  Phase Names in the FToxid solution database in FactSage 5.5 that are no longer in the FToxid solution database in FactSage 6.1
  • SPIN is now SPINA
  • Oliv is now OlivA
  • MnPy and Rhod have been combined into Rhod (MnPy no longer exists)
  • aC2SA and aC2SB have been combined into aC2S
  • bC2SA and bC2SB have been combined into bC2S
  • MULL and MulB have been combined into Mull
  • MeOA, MeOB and MONO have been combined into MeOA and MeOB
  • Also note that fluorine and chlorine are no longer components in SLAGA. They are now in a new phase, SLAGH

• System Al2O3-SiO2-B2O3-CaO-MgO:
  - All B2O3-containing sub-systems have been completely re-evaluated and re-optimized for all compositions and all phases
  - New B-containing melilite phase (gehlenite) (FToxid-Gehl)
  - New compounds Ca2B2SiO7 and Ca11B2Si4O22
  - New model for B-containing mullite. Former phases FToxid-MulB and FToxid-MULL combined into FToxid-Mull
  - Update of evaluation of boron in Ca2SiO4 (alpha and alpha-prime)

• System Na2O-B2O3-SiO2:
  - Slag/glass phase re-evaluated and re-modeled. The charge compensation effect has been taken into account.
  - Compounds Na3BO3 and NaBSiO4 added
  

• System Na2O-Al2O3-SiO2:
  - Completely re-evaluated and re-optimized at all compositions and for all phases The charge compensation effect has been taken into account for the liquid phase.
  - Nepheline, carnegeite and NaAlO2 (FToxid-Neph, FToxid-Carn, FToxid-NASl and FToxid-NASh) solutions are new, replacing the former stoichiometric compounds NaAlSiO4 and NaAlO2.
  

• System Na2O-Al2O3-SiO2-MgO-CaO:
  - Evaluation/optimization updated
  

• Systems with MnO and Mn2O3:
  - Mn-Si-O and Mn-Fe-Si-O systems re-evaluated with the addition of trivalent Mn3+ (Mn2O3).
  - New solution phases braunite and bixbyite added (FToxid-Brau and FToxid-Bixb).
  - Slag, spinel and olivine phases updated as regards Mn
  - FToxid-Rhod (rhodonite) updated to include FeSiO3 and MgSiO3 as components. Former phase FToxid-MnPy has been merged into FToxid-Rhod
  - Mn2O3 now a component of the corundum phase FToxid-Coru
  - New tetragonal spinel phase (FToxid-TSPi) added. (Mn3O4 with Fe and Cr in solution)
  - New compounds Mn2O3 and MnO2

• Systems with chrome oxides:
  - New spinel phase FToxid-SPINB (FeO-CrO-MnO-Cr2O3-Fe2O3-Mn2O3)
  - New (Mg,Cr)-olivine phase FToxid-OlivB.

• Systems with titanium oxides:
  - Systems TiO2-Al2O3-MO (M = Ca, Mg, Mn) re-evaluated and re-optimized
  - Ti2O3 added as a component to the corundum FToxid-Coru phase
  - Al added as a component to the titanium spinel phase (FToxid-TiSp)

• Monoxide phase:
  - Former phases FToxid-MeO and FToxid-MONO have been merged into new FToxid-MeO containing FeO-CaO-MgO-MnO-NiO-CoO + (Al, Fe(III),Cr,Zn in dilute amounts)

• Sulphide solubilities in slags (sulphide capacity):
  - Completely re-evaluated and re-optimized using all available latest experimental data and using a new model (Modified Quasichemical Model in the Quadruplet Approximation) permitting calculations even to high sulphide contents.

• C, N and CN capacities of slags modeled in FToxid-SLAGH

• Compound Ca4Si2F2O7 added

• Compound Al6Si2O13 removed from the compound database. Use FToxid MULL (mullite) from the solution database.

• Ilmenite and spinel phases - new model parameters for Mn and Ti.

• FToxid-SLAGA with FeS and Cu2S:
  The model parameters for the activities of FeS and Cu2S in the molten slag FToxid-SLAGA were in error in 6.0. As a result, calculated solubilities of FeS and Cu2S in fayalite slags are too large when using the Equilib and Phase Diagram Modules. (These solubilities were correctly calculated with the FToxid database of FactSage 5.5.) In 6.1 the model parameters of FeS and Cu2S have been corrected.

• This is a major expansion and update of the previous FSlite database for light metal (mainly Al-based and Mg-based) alloys. The number of fully assessed binary and ternary systems has more than doubled and a great many previous assessments have been re-evaluated and re-optimized based upon the most recent data and improved solution models.

• The Mg-Al-Mn-Zn-Li-Ca-Sr-Ce-Y system has been completely re-optimized with the Modified Quasichemical Model for the liquid phase for short-range ordering (solute-solute interactions). Note that intermetallic ternary solid solutions are not completely evaluated in some subsystems.

• The volumetric properties (density, molar volume) for the Mg-Al-Mn-Zn-(Fe) system (phases in equilibrium with HCP_A3) are modeled: click the 'use molar volume' option in EQUILIB.

• Solid Al8Mn4Y has been changed. SiC alpha and beta have been changed (drastic change on metastable alpha, added thermal exp. to both). Name of solid phases changed in Ce-Zn and Y-Zn binary systems.

• Clients who lease FSlite where the license has not expired, and who have current maintenance and support, will receive FTlite as an update of FSlite at no additional charge.

• This is a major expansion and update of the previous FSnobl database for noble metal alloys. The number of fully assessed binary and ternary systems has nearly doubled and many previous assessments have been re-evaluated and re-optimized based upon recent data.

• SGnoble phase diagram (Phas*.dat) files for calculating phase diagrams are included in 6.1. In Phase Diagram click on ' File > Directories ... > SGnobl binary diagrams'. (These files are only available if the SGnobl database has been installed.)

• Clients who lease FSnobl where the license has not expired, and who have current maintenance and support, will receive SGnobl as an update of FSnobl at no additional charge.

• This is a major expansion and update of the previous SGTE2004 alloy database with many more fully assessed systems. As well, many previous assessments have been re-evaluated and re-optimized based upon recent data.

• Clients who lease SGTE2004 where the license has not expired, and who have current maintenance and support, will receive SGTE2007 as an update of SGTE2004 at no additional charge.

• This is a new database from SGTE for alloy systems involving the following elements which are components of lead-containing and lead-free solders: Ag, Au, Bi, Cu, In, Ni, Pb, Pd, Sb, Sn, Zn.
  

• New documentation

• New compound data:- gaseous S, S2, S3, S4, .., S8; metastable Na2SO3 and K2SO3; stable pure solid and liquid NaCl and KCl.
  

• Corrections have been made to the liquid Sn, FTmisc-Snlq phase.

• The FTmisc-Felq liquid iron phase has been updated in FactSage 6.1; it is no longer identical to the liquid iron phase in the FSstel database. This phase is better suited for calculations involving iron and steelmaking processes, whereas the liquid iron phase in the FSstel database is better suited for calculations involving solidification of alloys.

• Minor corrections have been made to the database for the Fe-S system.

• Species selection with the Equilib and Phase Diagram modules has been made simpler. (Try it and see.)

• Some minor updates. Compound MoS2(s2) removed.

• Temperature-dependent volumetric properties (densities) have been added in the FTsalt-SALT liquid solution for the following 50 pure liquids: LiF, NaF, KF, RbF, CsF, MgF2, CaF2, LaF3, CeF3, LiBr, NaBr, KBr, RbBr, CsBr, MgBr2, LiI, NaI, KI, RbI, CsI, Li2CO3, Na2CO3, K2CO3, LiNO3, NaNO3, KNO3, RbNO3, CsNO3, LiOH, NaOH, KOH, Li2SO4, Na2SO4, K2SO4, LiCl, NaCl, KCl, RbCl, CsCl, MgCl2, CaCl2, SrCl2, BaCl2, MnCl2, ZnCl2, PbCl2, AlCl3, LaCl3, CeCl3, CaO.

• Volumetric properties (densities) have been modeled in the FTsalt-SALT liquid solution for the following 13 binary liquids: LiF-NaF, LiF-MgF2, LiF-CaF2, NaF-MgF2, NaF-CaF2, MgF2-CaF2, NaCl-KCl, NaCl-MgCl2, NaCl-CaCl2, KCl-MgCl2, KCl-CaCl2, MgCl2-CaCl2, CaF2-CaO. In particular, satisfactory density calculations can be performed for the NaCl-KCl-MgCl2-CaCl2 quaternary liquid.

• Note that the box 'include molar volumes' in the Equilib module must be checked in order to perform density calculations.

• The FTsalt-SALT liquid solution has been extended with the addition of ZnCl2. NaCl-KCl-MgCl2-CaCl2-AlCl3-ZnCl2 is a newly approved sub-system of FTsalt-SALT (corresponding to the ISalt-liquid solution). In particular, all five binary subsystems involving ZnCl2 as well as the NaCl-KCl-ZnCl2 and KCl-CaCl2-ZnCl2 ternary subsystems have been optimized. The following compounds have been added to the FTsalt pure compound database: ZnCl2(s,l), Na2ZnCl4(s), K2ZnCl4(s), KZn2Cl5(s), K5Zn4Cl13(s). The following gaseous species have been added to the FACT53 pure compound database: ZnCl2(g), Zn2Cl4(g), NaZnCl3(g), KZnCl3(g).

• Some minor updates and corrections

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

What's New in:

• FactSage 5.5 (May 2007)?  
• FactSage 5.4.1 (January 2006)?  
• FactSage 5.4 (August 2005)?  
• FactSage 5.3.1 (November 2004)?  
• FactSage 5.3 (June 2004)?  
• FactSage 5.2 (May 2003)?  
• FactSage 5.1 (June 2002)?