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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.
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