page last updated: 22.07.2016
Welcome to the thermocalc resources webpage. This page (housed at The Johannes Gutenberg University of Mainz) is a collaborative effort between Roger Powell (University of Melbourne), Tim Holland (Cambridge University) and Richard White (University of Mainz) to provide a much-expanded set of thermocalc resources than is currently available on the web. These include a more comprehensive set of activity-composition models and datafiles, more in-depth explanations of scripts, tutorials on how to calculate different types of diagrams and teaching resources for those wishing to incorporate phase diagram analysis and thermodynamic calculations into their courses.
As this is a work in progress, not all the resources are finished (or started for that matter), but we intend to update this page regularly with new information.
What is thermocalc and what calculations does it do?
Thermocalc is a thermodynamic calculation program (Powell & Holland 1988) that uses an internally-consistent thermodynamic dataset (Holland & Powell, 1998) to undertake thermobarometry and phase diagram calculations for metamorphic rocks. Thermocalc can be utilised to undertake a wide range of phase diagram calculations including P-T projections, P-T, P-x & T-x pseudosections, compatibility diagrams, µ-µ diagrams. It uses a non linear equation solver to calculate user-specified equilibria.
If you are new to thermocalc we recommend you start with the getting started page which provides a detailed description of how to construct phase diagrams.
Navigating this website
The pages are separated into eight main sections home, getting started, tutorials, software, documentation, datafiles, tips and tricks, and teaching resources. Below is a short explanation of what is in each section. A full list of resources available in each page is given at the top of that page.
As we are currently undergoing the transition between the Holland & Powell 1998 version of the dataset (ds5) and the newer Holland & Powell 2011 dataset (ds6) the different versions of software, a-x datafiles and script files are kept on sparate pages. all files relevent to ds5 are on pages labelled "-ds5". All versions of software, a-x datafiles and script files
Home: You are here
Getting started: A short explanation of what files/software you will need, choosing a chemical system, deriving a bulk rock and how to get going if you are new to thermocalc. In addition there is an explanation of where to find information in these pages if you are new to this website.
Software-ds5: This is where you can download the ds5-compatible versions of thermocalc, draw pd and ax along with the internally-consistent thermodynamic dataset and some example files
Datafiles-ds5: Here you can download a range of a-x datafiles and script files for use with dataset 5.
All downloads-ds6: Here you can download any a-x datafiles, script files and software for use with dataset 6.
Documentation: Here you can download the thermocalc short-course documentation, as well as links to more up-to-date documentation on file naming, scripts and running thermocalc.
Tutorials: A series of tutorials outlining how to undertake certain types of calculations and create most commonly used diagrams.
Tips and Tricks: This page contains a number of useful tips for making you calculations run easier, such as recognising when to change starting guesses, how to sort out complex fields etc.
Teaching resources: This page contains a number of practical exercises designed to teach students how to read and understand phase diagrams, how to use phase diagrams to interpret metamorphic rocks and textures, and simple practicals on calculating phase diagrams using thermocalc. (currently empty).
We would like to thank the following people for providing some of the resources here including many of the available datafiles: Dave Kelsey, Johann Diener, Eleanor Green, Katy Evans, Tim Johnson.
The Johannes Gutenberg University of Mainz is thanked for hosting this website and funding its development.