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page last updated: 12.12.2011

News

DS6 is here (12/12/2011)

Apologies for the delay in putting the new ds6 dataset up on the web. It has turned out to be more work than expected to sort out aspects arising from it, and appropriate a-x files are still under development (watch this space). The dataset in the ds6 paper:

Tim Holland & Roger Powell, 2011. An improved and extended internally consistent thermodynamic dataset for phases of petrological interest, involving a new equation of state for solids. Journal of Metamorphic Geology, 29, 333-383

is designated to be tc-ds60.txt, and this will not be released for use. The dataset released here, designated tc-ds61.txt, includes important changes to, and improvements on, tc-ds60.txt as noted here. The new THERMOCALC release, tc336, should be used with the file tc-ds61.txt. Those using this updated dataset should refer to it as "using an updated version of the Holland & Powell 2011 dataset (ds61, September 2011).

More information is available on the dataset 6 page.

 

Information regarding ds6 (24/03/2011)

Appearing here shortly will be the new dataset, tc-ds61.txt, associated with the paper just published in Journal of Metamorphic Geology:

Tim Holland & Roger Powell, 2011. An improved and extended internally consistent thermodynamic dataset for phases of petrological interest, involving a new equation of state for solids. Journal of Metamorphic Geology, 29, 333-383.

The transition from tc-ds55.txt to tc-ds61.txt is non-trivial for all concerned, including you the user, as much has changed. For those of you who are mid-project it is not wise to think of jumping to the new dataset unless there is something specifically in the new dataset that will dramatically improve your modelling. The dataset, tc-ds55.txt, and accompanying axfiles have been widely used and are considered to be quite stable, as well as being good at reliably modelling the majority of rocks. So keeping on using tc-ds55.txt is your best plan.

For use with the new dataset, many of the existing activity-composition relationship codings in axfiles will need to be modified, mainly because the underlying assumptions in dataset generation have changed substantially in the intervening 8 years between tc-ds55.txt and tc-ds61.txt. The existing axfiles should not be used with tc-ds61 as this will in most cases result in erroneous results. There are other codings (e.g. biotite, chlorite) that we are taking this opportunity to upgrade as the current ones, for various reasons, are obsolete. Our aim, of course, is to make these new axfiles stable and reliable as the old ones. Clearly this is a big job - one that we are working hard at - so you will have to be patient and await their release. The first, for metapelite modelling in NCKFMASHTO, should be available in the next few months.

 

Average P-T documentation expanded (16/05/2010)

The documentation section for Average P-T calculations has been expanded by rp. This includes downloads for the given example for both Mac and PC.

Equilibrium Thermodynamics in Petrology: now available for download (29/03/2010)

As the copyright holder, Roger Powell has given permission for his 1978 book “Equilibrium Thermodynamics in Petrology” to be made available for personal, non commercial use as a free PDF download from this site. The download link for the book can be found on the documentation page.

 

New Tutorial available: calculating mode and composition isopleths (ie contours) by Richard White (29/03/2010)

This tutorial outlines the basics for calculating mode and composition isopleths (contours). The tutorial is based on the composition used for P-T tutorial 1, but uses thermocalc 3.33

This tutorial is available from the tutorials page.

 

New Tutorial available: using the readbulkinfo (rbi) script  by Richard White (29/03/2010)

This tutorial illustrates several uses for the readbulkinfo (rbi) script. The rbi script allows the bulk rock composition to be easily set using calculated modes and mineral compositions. The tutorial outlines using this script to firstly remove a proportion of melt from a bulk rock composition and secondly to set an appropriate H2O content at the wet solidus.

This tutorial is available from the tutorials page.

 

Tutorial Update (29/03/2010)

The following tutorials have been updated with additional files and instructions for compatibility with thermocalc 3.33

All tutorials are available from the tutorial page.

 

New Tutorial: P-T-pseudosections for mafic rocks by Johann Diener (09/11/09)

This tutorial involves calculating a pseudosection for a metabasaltic composition. A finished pseudosection is provided, but there is no step-by-step instruction, so you should be fairly adept at using thermocalc if you wish to attempt this diagram. The bulk of the text is dedicated to successfully dealing with coexisting phases with identical a-x coding that are separated by solvi. This tutorial is available from the tutorials page.

 

thermocalc v 3.33 and Drawpd now available for Linux (09/11/09)

Linux versions of thermocalc 333  and drawpd are now available. Warning: These have not tested to confirm that the provided datafiles work. If you run into problems notify Richard White: rwhite “at” uni-mainz.de).

The Linux versions are available via the software page.

 

thermocalc v 3.33 update (26/10/09)

Release notes for thermocalc 3.33 (26-10-09)

Note: this is a minor update of an earlier (June 2009) version of thermocalc 3.33. This includes some minor bug fixes and some minor additions.

This version of thermocalc fixes some important problems that were inadvertently introduced with version 3.32. These involved thermocalc struggling to find solutions in certain pseudosection calculations, particularly in relation to mode contours. However if thermocalc did produce results, they were OK. Other modes were not affected.

IF YOU ARE CURRENTLY USING VERSION 3.32, MOVE TO 3.33 NOW.

As in version 3.32 the following new features are in thermocalc 3.3

in the logfile, for copying as starting guesses into the scriptfile.

Other changes include:

% --------------------------------------------------------
% at P = 4.8, T = 740, for: bi cd g liq ksp pl sill q with g = 0
% --------------------------------------------------------
ptguess 4.8 740
% --------------------------------------------------------
xyzguess x(bi) 0.716766
xyzguess y(bi) 0.570482
xyzguess Q(bi) 0.0608672
xyzguess x(cd) 0.479166
xyzguess h(cd) 0.588249
xyzguess x(g) 0.859630
xyzguess z(g) 0.0273804
xyzguess q(L) 0.184505
xyzguess fsp(L) 0.291590
xyzguess na(L) 0.390403
xyzguess an(L) 0.0104243
xyzguess ol(L) 0.00275070
xyzguess x(L) 0.824099
xyzguess h2o(L) 0.493439
xyzguess na(ksp) 0.172479
xyzguess ca(ksp) 0.0111256
xyzguess ca(pl) 0.496911
xyzguess k(pl) 0.0265394

Please report any problems encountered to Roger Powell (powell@unimelb.edu.au), as usual providing axfile, scriptfile and a logfile that shows the problem encountered).

This updated version of thermocalc 3.33 is available from the software page.

Drawpd update - version 1.15 (26-10-09)

Release notes for Drawpd 1.15
The main change in Drawpd is a bug fix regarding files with ilmenite.
Earlier versions would read the "i" of "ilm" as a prompt for an invariant point causing the drawing to fail. This is now fixed.

The new version of drawpd is available from the software page.

thermocalc update - version 3.33 (29/06/09)

This version of thermocalc fixes some important problems that were inadvertently introduced with version 3.32. These involved thermocalc struggling to find solutions in certain pseudosection calculations, particularly in relation to mode contours. However if thermocalc did produce results, they were OK. Other modes were not affected.

IF YOU ARE CURRENTLY USING VERSION 3.32, MOVE TO 3.33 NOW.

The features in 3.33 are the same as in 3.32 (minus the bugs). See below for a fuller explanation of the new features. The release notes provide a full explanation of the new features.

thermocalc 3.33 is available from the software page.

thermocalc update - version 3.32 (21/04/09)

The new version of thermocalc (3.32) is now available for download for MAC and PC. The new versions can be downloaded from the software page.

What is new in the update?

For calculations done in mode 1:

Drawpd update (21/04/09)

This is a minor update of drawpd.The main change is an increase to allowable ranges of various data structures ( eg number of data points defining a line, number of allowable lines and points, and number of allowable areas). The new version is available from the software page.

List of Mineral Endmember and Phase Abbreviations (21/04/09)

Endmember abbreviations used in the internally consistent dataset have been added to the documentation page for the internally consistent dataset.

A list of Mineral and Phase name abbreviations used in thermocalc have been added to the documentation section.

thermocalc website launched (16/01/09)

This website is a collaboration between Roger Powell, Tim Holland and Richard White. Its aim is to provide a 'one-stop shop' for all things thermocalc. Like the program itself, this website is a work in progress and will be updated and have new resources added as they become available.

 

ax models and example script files available for download (16/01/09)

The most up-to-date a-x models for thermocalc can now be downloaded from the datafiles page.

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