What's New in FactSage 5.5?
(Revised January 2007)
FactSage 5.5 Update:
FactSage 5.5 was released in January 2007.
The update permits you to upgrade FactSage 5.0
(or update/refresh any more recent version 5.1, 5.2, ... etc.)
to FactSage 5.5.
If you wish to install FactSage 5.5 on a new PC then you must
first install the original FactSage 5.0 package (April 2001).
In January 2006 we listed the important database and programming changes in
5.4.1 with respect to 5.4 - these are also included in this document.
What follows is the current list of all the important database and programming changes in
FactSage 5.5 (January 2007) with respect to FactSage 5.4 (August 2005).
- Security key drivers
- New MemoHASP (dongle) 4.99 drivers (files) replace 4.96.
If you have 'Administrator Privileges' after 5.5 has been installed, to load the latest (4.99)
drivers run FactSage and click on the menu bar 'Tools > MemoHASP Security Key (dongle) > Install drivers '
- Administrator and Regular Users
- The Administrator can install and run FactSage.
However, a Regular User may not be able to access FactSage
and its folder, or may see error messages such as
Run-time error '75': Path/File access error.
In such a case the Administrator must give the Regular User permission to access and change files in the
In 5.5 the Administrator can click on the menu bar
'Tools > Windows XP > Permit regular users access to FactSage ...'
and FactSage will try to permit regular users access to the FactSage folder and its sub-folders.
- grams have been added to the units of mass.
That is, spreadsheets, tables and graphs can be either in moles or grams.
- when All Databases and solution species are selected, up to 30 (was 8) databases may now be scanned.
- In the slide show (manual) for the Solution module, in Section 6, the examples can now be accessed in the
file Factdata\Examsoln.dat which you will find in your FactSage directory.
Equilib and Phase Diagram - modifications include:
- The 'Equilib Extended Version' has been expanded to 48 components (was 32) with a maximum
number of 1500 species and 40 solutions. In the FactSage Main Window click on
'Tools > Equilib ... > Install Extended Version ...' to install.
For the Equilib Regular Version (32 components - 700 species - 30 solutions) click on
'Tools > Equilib ... > Install Regular Version ...' - this is the default setting.
Fast PCs with lots of RAM and free disk space will notice no difference in calculation speeds
between the two versions. However a slow PC with little memory may see a big change in
performance. It is possible that the 'Equilib Extended Version' has difficulty in loading
- in such a case simply reinstall the 'Equilib Regular Version'.
- 'Reaction Tables' in the Reactants Window (Equilib) may now be imported or exported with or without
headers to or from the clipboard or an Excel spreadsheet.
- in the Selection Window it is now possible to order alphabetically (increasing or decreasing)
the '+', 'Phase', 'Species' and 'Data' columns.
- in the Databases Window up to 30 (was 8) databases may be simultaneously accessed
and used in the Equilib (and Phase Diagram) calculations.
- the organisation of the compound and solution pseudonyms (click on pseudonym 'list' in the Menu Window)
has been modified slightly. The pseudonyms are now stored in .txt (was .dat) files - Pseudonc.txt (compounds)
and Pseudons.txt (solutions).
Old .dat files are automatically converted and renamed to .txt files by the program.
A '*' wild card may be added to the end of compound or solution name
- ex: 'SiO2(*' for SiO2(s), SiO2(s2), SiO2(l) ... and 'FACT-Slag*' for FACT-SlagA, FACT-SlagB ...
- In the Menu Window (Equilib) the 'Predominant Calculation'
has been expanded when using the 'extended version'
(up to 40 components, 1500 species and 40 solution phases).
This option is used when you are running a hugh calculation (more than 1500 species) and you
do not know which gases, solids and liquids to include and which you can ignore in the
species selection. Specify one value of T and P, select the 'predominant' option and
then "Calculate >>". By an iterative procedure Equilib attempts to identify the most
predominant compound species - up to 1000 gas species (was 300) and 300 pure solids and liquids
- and uses these in the product selection.
- In the Results Window Debye shielding is now automatically taken into account in calculations
- For the sake of clarity, the description of components in many metallic phases in the FSstel, FSlite,
FScopp, and FSlead solution databases have been simplified.
For example "Fe:Va" has simply been replaced by "Fe".
Macro Processing - extensive modifications have been carried out to the
Macro Processing language that is called through the Equilib & Phase Diagram modules
(in the Equilib Reactants Window click on 'File > Macro Processing > Macro Processing - Manual').
A new type of variable called a 'macro $function()' has been introduced.
Macro $functions have arguments
contained within the parentheses, (). The arguments are separated by spaces
or commas and may be a %variable, a thermochemical $variable$, but not another
$function. A line in the macro file may have several $functions.
The new functions include:
Batch File Processing of Macro Commands
- it is now possible to perform Equilib (or Phase Diagram) Macro processing
without first calling FactSage.
This is done by running a *.bat file that contains a call to process
the macro file within the Equilib (or Phase Diagram) module.
Sample .bat files, Run_Equilib.bat and Run_PhaseDiagram.bat, are located in the FactSage directory.
New SET variables have been added, including:
- String manipulation - $LCASE, $UCASE, $LEFT, $RIGHT, $MID
- Output formatting - $FORMATE, $FORMATF, $FORMATG, $FORMATI
- Mathematical functions - $ABS, $EXP, $LN, $LOG10, $FIX, $INT,
$RND, $RNDINT, $MIN, $MAX, $MINI, $MAXI, $MEAN
- Mixed mathematical expressions - $MATH.
This versatile function enables you to enter a mixed expression that includes the
operators, + - / * ^ \, as well the common functions abs(), ln(), log10(), exp(),
cos(), sin(), tan(), acos(), asin(), atan(), fix(), int(), sqr(), cbr() and
Examples: $MATH(cos(100)^2 + sin(100)^2) => 1.
$MATH((5!-(2-5)^2)/(sqr(abs(2^4-3^5))) => 7.36732...
- Other functions - $EXIST, $CONSTANT
Other variables and commands have been added, including:
- SET PAGE 'value' - to select a particular page from many pages of results
- SET REACTANT ADD - to add a new reactant, or DEL to delete (remove) an existing one
- SET SELECT GAS (LIQUID AQUEOUS SOLID COMPOUND) + (-!) ['data' ['species']]
- to include (or exclude) compound species in the equilibrium calculation
- SET SELECT SOLUTION + (-!IJ) 'data-phase'
- to include (or exclude) solution phases in the equilibrium calculation
The Macro Processing Manual has been updated to include the new variables.
New *.mac files have been added to the Macro directory of examples:
- RUNMACRO 'filename.mac' - to quit the current macro and run filename.mac
- SHELLEXECUTE 'filename'
- to open a file using the Windows default application (NotePad, WordPad, Excel ...)
- thermochemical $variables$ for solution integral and partial properties; component lists and amounts; and more.
- an example of the new $functions is given in 'EquiEx_List_Functions.mac'.
- an example of most thermochemical variables is given in 'EquiEx_List_Thermo.mac'.
- an example of SET SELECT is given in 'EquiEx_Set_Variables.mac'.
METSIM - FactSage interface - using macro processing, it is now possible for a METSIM
simulation (.swf file - METSIM version 1409 or mor recent) to run Equilib calculations by setting the conditions
and accessing the results via an Excel file (DDE and OLE exchange).
There is a new switch (FAS - FACT) in METSIM that enables it to activate
Equilib calculations and access FactSage databases.
Species and phases taken from the METSIM database must be coupled with the Equilib selection
and a special Xls file must be created.
For more information please C.W. Bale at the CRCT.
Fact-XML - 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 ChemSage format has been improved.
- both FACT and ChemSage formats may now be exported to an Excel spreadsheet.
- more composition units have been added
- X vs Y graphs may be plotted where X and Y are T, P, or activity etc.
(same as in Results - the Equilib post-processor) but may also be partial or integral
solution thermodynamic variables.
The X and Y variables may contain operators, + - / * ^, as well the common functions
ln(), log10(), exp(), cos(), sin(), tan(), etc.
Ex: log10(P(O2)) vs %CaO, P(CO2)/P(CO)^2 vs (%CaO+%MgO)/(%SiO2), where
O2, CO, CO2, CaO, MgO etc. are species calculated by Equilib.
- The Fact-XML Slide Show (ppt & pdf files) has been updated and illustrates
many of the new features.
- Improved interface for the Wagner Interaction Formalism
- Improved interface for 'Measured Variables' involving 'Initial Conditions' (DH, DG, DS, DV, …) :
more warning messages and information pop-ups.
- Debugging of Selected Parameters for the Redlich-Kister-Muggianu Model with L0, L1, L2, etc…
- Debugging of color codes for errors when '1/X', 'log X' or 'ln X' scales are used (output)
- New buttons in the Add/Edit Group Form : 'Select all points for optimization', 'Unselect all points for optimization' and 'Auto resize column width'
- More than one 'Measured Variables' per group is now allowed
- The selected parameters for optimization are stored in the OPT file.
- A new database FTpulp has been added to the FACT package of databases.
This contains newly optimized data for the liquid solution Na,K//Cl,SO4,CO3,O,OH,S2O7,S,S2,S3,...,S8
(with metal dissolution) nd for associated solid phases including sufide solid solutions.
The database will have applications in the pulp and paper industry (recovery boilers) as well as
generally in combustion and corrosion calculations.
Documentation will soon be posted on the FactSage website.
- A suite of calculated binary and ternary phase diagrams have been created from the FToxid databases
- click on 'Documentation > [FToxid] > Phase diagrams'
- In the FToxid database, new experimental data have been used in a re-optimization of the MnO-TiO2-Ti2O3
and MnO-TiO2-Ti2O3-SiO2 systems. See FactSage documentation references [2033, 2034].
Calculations will not be affected unless MnO and titanium oxide are both present.
The phases affected are SLAG, TiO2, ILME, PSEU, TiSp and MONO.
In addition, the binary Ti2O3-TiO2 system has been re-optimized, but changes are very slight.
Also, ternary parameters have been changed for the liquid (SLAG) phase for the systems MgO-TiO2-Ti2O3,
CaO-TiO2-Ti2O3, and Al2O3-TiO2-Ti2O3.
- Some updates to the FTsalt database have been made for several phases
(including the liquid solution SALTF) involving Na2SO4, Na2CO3, K2SO4 and K2CO3.
The Na,K//Cl,SO4, Na,K//CO3,SO4 and Na,K//Cl,CO3 ternary reciprocal systems have
been optimized and reasonable results should be obtained above 300 or 400 C.
- Data for Hg, La, PN, PH, PH3 and Mg3P2O8 have been corrected in several compound databases.
Data for KAlSiO4, GaAs, Al2S3 and ZnFe2O4 have been corrected in the FS53 compound database.
Data for alpha prime Ca2SiO4 have been corrected in the FToxid compound database.
- The Henrian (infinitely dilute) activity coefficients of Ca and Al in liquid Si have been
modified in the UpSi solution database, based upon new experimental data and new optimizations.
The following bugs that appeared in the 5.4 or 5.4.1 software have been resolved in 5.5:
- Network - A Client installation may see a View Text Window about
refreshing databases from \FACTDATA - this message keeps repeating every 30 minutes or so.
- Equilib - An 'open' calculation is not possible unless the Reactant Windows
'initial conditions' is checked.
- Equilib & Phase Diagram - Calculations involving the mullite (Al2O3 - SiO2)
solution phase (FACT-MULL & FToxid-MULL)
or the Mg-Al gamma solution phase (FACT-AlMg & FTmisc-AlMg) are in error.
- Equilib & Phase Diagram - Certain calculations involving the
FToxid-Slag (molten oxide phase in the FToxid database) or
FToxid-MeO (monoxide phase in the FToxid database)
that was the subject of the FactSage 5.4.1 patch
(see www.factsage.com - FactSage 5.4.1 News).
- EpH - The value of E(Volts) is in error by a factor of 4.184.
However in the calculated EpH diagram the disposition of the phase boundaries
and the relative positions of the H2(g) and O2(g) lines are all correct.
Likewise in the list of invariant points, the coexisting phases are correct.
Previous FactSage Updates
The following summaries are only available if you have updated your installation
with that particular version.
What's New in:
[F*A*C*T] [www.factsage.com] [GTT]