The FactSage 7.2 Installation program enables you to update/refresh FactSage 7.2 software, documentation and databases to the full FactSage 7.2 package. You can update/refresh a FactSage Standalone computer or a Network Server. In the case of a network installation it is only necessary to update/refresh the Network Server.

You can update a FactSage 7.0 or 7.1 installation.

Do not update a FactSage 6.4 installation - in this case select 'New FactSage installation' and install FactSage 7.2 in a new folder.

In FactSage 7.0 the solution file structures were reformatted to a new solution database format. The old solution files (*.dat, *.sdb, *.sda) were replaced by two new files :

• *soln.sln files - private text data, e.g. Copysoln.sln, Testsoln.sln
• *soln.sdc files - protected public data, e.g. FTOxid53soln.sdc (FToxid)

The new structure has worked well in FactSage 7.0 and 7.1 and requires no fixes.

In FactSage 7.2 the following additions have been made to the Solution App.

• Ability to insert species (versus add) on solution sublattices.
  For example, this is useful if you want the species to remain ordered alphabetically.

• By pressing the Del key after selecting species (Ctrl + Click) on each sublattice of a solution, you are offered four options:

  1. Delete selected species and all related items from solution
  2. Retain selected species and delete all others and related items from solution
  3. Delete selected end-members and all related items from solution
  4. Retain selected end-members and delete all others and related items from solution

  For example, these are useful if you want to produce solution subsets for different customers (options 1 and 2) and if, in addition, you want to keep species relative order unchanged (options 3 and 4).

• Ability to delete unused functions in a database.

Equilib and Phase Diagram engage the ChemApp Gibbs energy minimizer which is programmed in FORTRAN.

In FactSage 7.2 we have changed the FORTRAN complier. We now employ the Intel Compiler which produces optimized code that is more compact and runs significantly faster. In addition the superior error checking features of the new compiler enable us to produce a code that is less likely to contain bugs.

In the future we plan on employing the parallel processing options available in the Intel Compiler.

Reaction Table In the Equilib Reactants Window you specify a set of reactant amounts, for example: 50 mol SiO2 + 30 mol CaO + 20 mol MgO But you may open a Reaction Table and specify multiple sets of reactant amounts.

.

With the Reaction Table you specify various sets of reactant amounts as well as their product temperatures and pressures - each set resulting in a separate equilibrium calculation. Here the Reaction Table shows the entry 5 separate equilibrium calculations (rows 1 - 5). As new amounts are entered the totals are updated. For example, with the entry of 40 mole MgO on row 5 the display updates the total: Row 5: the total reactants = 100 (mole)

After closing the Reaction Table you open the Menu Window and select the Table option. This causes the original amounts and Final Conditions to be replaced by <table> . The product equilibrium is calculated in the usual manner (click on Calculate >>) and 5 pages of output are displayed in the Results Window



1 - The Table option is selected in the Menu Window
2 - Results Window showing the equilibrium calculation for the first set of reactants - row 1 in the Reaction Table.

In general the Reaction Table is used to specify sets of input amounts with their product temperature and pressure. In FactSage 7.2 it may be possible to change the type of calculation, for example ignore the product temperature, but still employ the Reaction Table to define the input amounts.

For example, in the above case the initial temperature of precipitation of solids from the slag phase could be calculated by specifying FToxid-Slag as a precipitate target phase (option 'P') and not specifying the final temperature ('blank').

This causes a conflict with the Reaction Table where the final temperature is defined. The Warning - Conflict with Reaction Table is posted in the Menu Window as shown in the following screenshot. But in FactSage 7.2 the calculation is now permitted and the temperature specified in the Reaction Table is ignored.



1 - In the Menu Window option 'P' is applied to FToxid-Slag and the final temperature is undefined ('blank')
2 - In the Results Window the precipitate temperature for page 1 is 1382.45 C




• New Parameters Window Output Options - 'Equilib > Menu Window > Parameters > Output...'

  In the Equilib Parameters Window the show options in the Output Frame have been enhanced. After the equilibrium has been calculated, you can now display the date and elapsed time (if more than 0.1 sec) for the calculation. These values will appear at the top of the page in the Equilib Results Window. In the case of a range of values with multiple output pages (e.g. T = 1000, 1100, 1200, ...) the elapsed time for the first page (T = 1000) will tend to be slightly longer than the others since it also includes the time to load the data from the databases.

  .

PhasEx_Superimpose_Figs.mac is a new macro file in FactSage 7.2. This Phase Diagram macro is particularly useful if you wish to superimpose several calculated phase diagrams into one figure. . Copy PhasEx_Superimpose_Figs.mac to the folder that contains the *.fig files of the type MyName-1.fig, MyName-2.fig, MyName-3.fig ... Run 'Phase Diagram' and then 'Phase Diagram - Components Window > File > Macro Processing > Run .... PhasEx_Superimpose_Figs.mac'. The macro: asks you to enter the common name of the fig files - e.g. MyName- loads each MyName-*.fig and superimposes it with the others. displays the superimposed figure saves the superimposed figure in MyName-Superimposed.fig The screenshot shows four Ag-Au-Bi isothermal sections superimposed into one figure.

.

PhasEx_Calc_All_PDs.mac is a new macro file in FactSage 7.2. This Phase Diagram macro is particularly useful for database developers who wish to recalculate phase diagrams using revised databases. The macro loads each Phas*.dat that is stored in a folder, calculates the phase diagram and then displays the calculated figures in a web browser (htm) format. If the Phas*.dat contains a stored diagram it is displayed as well. In this manner the developer can compare the newly calculated diagram with the old one. Copy PhasEx_Calc_All_PDs.mac to the folder where the Phas*.dat files are stored. Run 'Phase Diagram' and then 'Phase Diagram - Components Window > File > Macro Processing > Run .... PhasEx_Calc_All_PDs.MAC'. The macro: loads each Phas*.dat file and calculates the phase diagram the calculated phase diagram is stored in the \BMPs\ folder as a bmp file both the calculated diagram and the previously saved figure are displayed side by side in an htm file (Phas_Calc_All_PDS.htm) as shown in the screenshot the elapsed time to calculate the phase diagram and the total accumulated time are posted In order to permanently save a record of all calculated and saved figures use 'Word' to open Phas_Calc_All_PDS.htm and save as a *.pdf file - for example Phas_Calc_All_PDS.pdf.

.

• ELEM is the database of elements using data from FactPS (see next).

• When using the FactPS or SGPS compound database there is no need to select the ELEM database ('Data Search') in your calculations.

• The only time you may need to select ELEM is if the elements are missing from your selected compound databases.

• FactPS is the compound database for use with the FACT databases (FToxid, FTsalt, etc.).

• Data for following 2 compounds have been revised in FactPS :

  PbBr4 and Cu(OH)2

• The following 125 compounds have been added to SGPS :

  Ag5Te3		AgBrCH5N		AgBrH3N		AgBrH9N3		AgCClH5N
  AgCNO		AgCNS		AgC2H3O2		AgClH3N		AgClH9N3
  AgFH4O2		AgFH8O4		AgIO3		AgN3		Ag2O3
  Ag2SO3		Ag2SeO3		Ag2SeO4		AlB3H12		AlB3H12
  AlCH2NaO5		AlC3H9		AlCl6Fe		AlH12N3O15		Al2C6H18
  Al2H12O18S3		Al2Sr		Al4Sr		Al7Sr8		AmCl2
  AmCl2		AmCl3		AmCl3		AmO		AsO6Sb3
  As2O6Sb2		As3O6Sb		As4Se3		As4Se3		AuO4Re
  B5Mo3		BCH3O		BC2H7O2		BC2H7O2		BC3H9
  BC3H9		BC3H9O3		BC3H9O3		BC4H14N		BC6H15
  BC6H15		BCl3H3P		B13Mo6		B4S6		BaBr2H2O7
  BaBr2H4O2		BaBr2O6		BaCl2H2O		BaCl2H4O2		BaCl2H6O11
  BaCl2O4		BaF6Si		BaH18O10		BaH2I2O7		BaH2N6O
  BaH8O12Re2		BaI2O6		BaO3Se		BaO4Se		BaO4SrTi
  BaSe		BeSe		BeTe		BiNa3O4		Bi2Te
  C3Nb4		C5Pu6		C7Nb8		C7Pu8		C7V8
  CNp		CNb		C2Th		C2U		C17U9
  C2CaH2O5		Ca24Cu29O56		Ca10F2O24P6		CaCl2H12O6		CaCl2H8O8
  CaFeO6Si2		CaH12I2O12		CaH4O5S		CaH4O6Se		CaH6O9P2
  CaI2O6		CaO6P2		Ca12H14O31Si6		Ce4Ru3		Ce7O12
  Ce6O11		Cl7Nb3		Cl8Nb3		CoSb		Cr6S7
  FeO		FeSe		Fe2Se2		Fe3Si7		FeTe
  Mo9O26		NV2		NiSe		Ni7Se8		NiTe
  O8Pu5		O19W7		O3W		O26W9		S2U

• FTdemo is the 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'.

Ca2Sn(s) has been added to the FTlite compound database.

• (1) SrO

  SrO has been added to the database. The whole SrO-BaO-Al2O3-B2O3-CaO-MgO-SiO2 system has been optimized, including 27 solid solutions and numerous stoichiometric compounds.

• (2) CaO-MgO-SiO2 system

  Bredigite Ca3(Ca,Mg)4Mg(SiO4)4 solid solution has been added to the CaO-MgO-SiO2 system.

• (3) Calculated phase diagrams

  Approx. 50 new FToxid phase diagrams have added to the 'list of stored phase diagrams'. There are now 421 phase diagrams (was 372 in FactSage 7.1) including 132 (113) binary systems and 289 (259) ternary systems.

The binary BINS database has been updated to be consistent with the new SGTE(2017) database

The SGTE(2017) database represents a significant update and revision of the previous SGTE(2014) alloy database.

The 79 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, H, 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

From among these elements, there are some 603 completely assessed binary alloy systems, of which 15 are newly assessed systems and 28 others have been revised or amended on the basis of newly published experimental information. The database also includes about 141 ternary and 20 higher-order systems for which assessed parameters are available for phases of practical relevance. The systems now incorporate 318 different solution phases and 1227 compound phases (mainly stoichiometric intermetallics).

Complete details on SGTE(2017) are given in 'Documentation' in the FactSage Main Menu.

Approx. 180 new SpMCBN phase diagrams have optimized and added to the 'list of stored phase diagrams' bringing the total to 633.
• (1) Amended systems

  B-Fe B-Si Hf-N

• (2) New binary systems

  B-Re B-Tc B-Y C-Re C-Sc C-Tc Co-Hf Co-Sc Co-Ti Cr-Hf Cr-Re Cr-Sc Cr-Y Fe-Hf Hf-Re Hf-Y Mo-Re Mo-Sc Mo-Tc Mo-Y N-Y Nb-Re Nb-Sc Nb-Y Ni-Re Ni-Sc Ni-Tc Re-Sc Re-Si Re-Tc Re-Ti Re-V Re-Y Re-Zr Sc-Si Sc-Ta Sc-Ti Sc-W Ta-Y Tc-Ti Tc-W Ti-Y V-Y W-Y

• (3) New ternary systems

  Al-B-C Al-B-Co Al-B-Cr Al-B-Fe Al-B-Mo Al-B-N Al-B-Nb Al-B-Ni Al-B-Re Al-B-Ti Al-B-V Al-B-Zr Al-C-Co Al-C-Cr Al-C-Fe Al-C-Hf Al-C-Mo Al-C-Nb Al-C-Ni Al-C-Sc Al-C-Ta Al-C-Ti Al-C-V Al-C-W Al-C-Zr Al-Cr-N Al-Hf-N Al-Mo-N Al-N-Nb Al-N-Ni Al-N-Si Al-N-Ta Al-N-Ti Al-N-V Al-N-W Al-N-Zr
  
  B-C-Cr B-C-Hf B-C-Mo B-C-Nb B-C-Ni B-C-Sc B-C-Si B-Co-Cr B-Co-Hf B-Co-Mo B-Co-N B-Co-Nb B-Co-Re B-Co-Si B-Co-Ta B-Co-V B-Co-W B-Co-Y B-Co-Zr B-Cr-Fe B-Cr-N B-Cr-Sc B-Cr-Y B-Fe-Hf B-Fe-N B-Fe-Sc B-Hf-Re B-Mo-N B-Mo-Y B-N-Nb B-N-Ni B-N-Ta B-N-Y B-Ni-Re B-Ni-Sc B-Re-Sc B-Re-Si B-Re-Ta B-Re-Ti B-Re-V B-Re-Y B-Re-Zr B-Sc-W B-Sc-W B-Si-Y B-W-Y
  
  C-Co-Hf C-Co-Nb C-Co-Si C-Co-Ta C-Co-Ti C-Co-V C-Co-Zr C-Cr-Hf C-Cr-N C-Cr-N C-Cr-Re C-Fe-Hf C-Hf-N C-Hf-Re C-Mo-Re C-N-W C-Nb-Re C-Re-Si C-Re-Ta C-Re-Zr C-Sc-Ti C-Sc-Zr C-Si-Ta
  
  Co-Mo-Si Co-N-Nb Co-N-Si Co-N-V Co-Nb-Si Co-Sc-Si Co-Si-Ti Co-Si-W
  
  Cr-Fe-Si Cr-Hf-N Cr-N-Ti Cr-Sc-Si Cr-Si-Y
  
  Fe-Mn-Si Fe-Mo-N Fe-N-Nb Fe-N-Ti Fe-N-W
  
  Hf-N-Si
  
  Mo-N-Ni Mo-N-V Mo-Si-Y
  
  N-Nb-Si N-Nb-Ta N-Ta-Ti N-Si-Ta N-Si-Ti N-Si-Y N-Si-Zr
  
  Nb-Si-V
  
  Ni-Re-Si
  
  Re-Sc-Si Re-Si-Y
  
  Sc-Si-Ta Sc-Si-V Sc-Si-W
  
  

Screenshot showing the summary of public databases in FactSage 7.2.

FactPS, ELEM and SGPS are compounds-only (pure substances) databases. FactPS, FToxid, FTsalt, FTmisc, FTOxCN, FTfrtz, FThelg, FTpulp ELEM and FTdemo are included in the FACT package of databases. FTlite and FTnucl are special databases that are leased separately. FactPS, FToxid, BINS, SGPS, SGTE and SpMCBN have been updated in FactSage 7.2. FTnucl and SpMCBN were new in FactSage 7.0. FSlite, FSnobl and SGSL were dropped in FactSage 7.0 For detailed database information go to the FactSage Main Menu and click on 'Documentation'.