MTDATA – Phase Diagram Software from the National Physical Laboratory

 

 

 

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MTDATA Version 4.8x

The latest version of MTDATA is version 4.81. If you are a licensed user of MTDATA wishing to install or upgrade MTDATA to the latest version (please note that a permit update may be required).

If you would like to download the MTDATA for Windows Evaluation Version and evaluate MTDATA free for 30 days.


Versions available include:

  • MTDATA for Windows
    • Now uses a new installer, due to security issues with XP
    • Tested on Windows NT4, 2000, XP and Vista RC2
    • Windows 2000 and XP are recommended
  • MTDATA for PC
    • High performance command line version
    • Now built using Intel Visual Fortran compiler (version 9.1) giving significant performance increases
    • New Windows DLL
    • Version for Linux

Version 4.81 was released in December 2007. This was a maintainance version mainly to fix a few known bugs in 4.80 and to release a new Windows DLL and version for Linux.


General Changes since version 4.74

  • New more reliable security based on computer hardware only
    • Computer ID will not now change when the software environment changes
  • Low level code restructuring and internal code rationalisation to support future parallelisation
  • Inter-procedural and processor specific optimisation used
  • Improved results from fixed enthalpy and component activity calculations
  • Higher accuracy calculations
    • Important for applications making use of composition iteration
    • Activated on request via configuration variable [TIDY_COMPUTE
    • Improvements by up to 4 orders of magnitude giving essentially 1 or 2 bit errors in component mass balances
  • Lower limit on pressure reduced from 10-30 to 10-60 Pa (via character interface)
  • Change in the way the model for condensed phases treats pressure dependence.
    • For unary data reference pressure is now 101.325 kPa, previously zero pressure was used
    • Produces only small effects, but is important for temperature metrology calculations
  • Added composition limits to fixed site sublattice and chemical ordering models to allow safe use of data with limited scope. Also handles the “Va:Va problem”
  • Database and macros to support teaching use (academic licensees) and teaching configuration variable (see GPLOT changes)
  • General increase in file name lengths
  • Database search templates
  • Relative atomic masses updated to current values (IUPAC 2001)
  • Multiple diagrams in same metafile are headed with a “NEW DIAGRAM STARTS” banner
  • Added database support for write and read of unary extended property format (used for viscosity, molecular constants etc)
  • Higher precision amount/mass (moles/kg) conversions

Module specific changes

  • Application
    • New isopleth now run via macro newisopleth.mac (details from John)
    • Changes to Isopleths (applications 1 and 14)
    • zero “sideways transitions” now allowed in application 1
    • small dot option to mark calculating boundaries
    • labelling of new isopleth phase fields to indicate proportion of phases present (command line versions only)
    • Improved node determination in new isopleth (application 14)
    • New configuration variables refine_nodes and diagram_boundary_rel_tol
    • New application StreamStep (details from John)
    • Improved contouring in Liqsect application if one or more boundary calculations fail – no more “hexagon disease”
    • Primary phase numbers are now plotted instead of names in Liqsect
    • Improvements in contouring in Liqsect etc - edges and cusps
    • New fixed enthalpy calculations over triangular composition grid to give adiabatic temperature contours
    • New isopleth - Improved invariant temperature and compositions also better miscibility gap handling
    • Old isopleth - PHASE_PRESENT_REL_TOL default is now a function of fractional composition range
    • Transn_t - User variable HIGH_PRECISION (0/1) now gives 3 or 7 decimal places in output
  • Multiphase
    • pH and Eh on an activity basis can be plotted as ordinate or abscissa
    • System_enthalpy can be set equal to a user variable value
    • Enthalpy can be plotted on abscissa
    • Activity coefficient can be plotted on ordinate
    • Constraints box now shows STAGE and SYSTEM_RESIZE instead of WORST ERROR internal convergence parameter
    • Two extra decimal places used for mass and amount of phases written to results tables – now 7 significant figures
    • Three extra figures allowed in GUI input of composition – now 8 significant figures
    • Support for longer component names (eg organics)
    • Constraints box shows composition in mass if system mass adds up to 1 or 100
    • List results full ! Gives default results table without new calculation
    • GTB file format changed to allow very large line length of 15000 bytes (was 132)
  • Access
    • Change to substance list output - now uses 40 characters for name
    • Some problems with brackets in component names fixed
    • Max number of elements in combination (eg in a single species) increased to 9
  • Utility
    • Load/list data - Support for extended property data (eg viscosity)
    • Load/list data - Longer unary names – now 120 characters (was 80)
  • Binary
    • Better error trapping and messages (eg when unclassified miscibility gaps would cause infinite loop in mapping)
    • Support for longer component names (eg organics)
  • Gplot
    • Teaching mode added which shows common tangent construction when teaching configuration variable is set
    • Support for longer component names (eg organics)
  • Ternary
    • Replot labels now same as in original calculation
  • Assessment
    • Changes to allow one set of linked parameters to be linked to another set
    • Output from list results experiment now goes to MPR file in addition to screen
    • Non default print settings are now active
  • Old binary and Gplot modules
    • These modules have been removed
    • They are significantly out of date and do not work with the more recently introduced phase models
  • Application Programming Interface
    • New style application interface means old routines are deprecated from the API but are retained for legacy reasons

Future release timetable

It is anticipated that Version 4.82 will be released in late 2008.

 

Updated 7 May 2010