The aim of this e-workshop was to present and discuss (1) the most commonly-used phase equilibrium modelling software packages currently available (THERMOCALC, Perple-X, Theriak-Domino), focusing on their capabilities and pros/cons, and (2) the factors influencing the interpretation of phase equilibrium modelling, including thermodynamic database/a-X models, uncertainties, reactive bulk composition, and the interplay between equilibrium and kinetics.
The program for the workshop is summarised below. The workshop was conducted “live” by Zoom webinar over five days for 3.5 hours per day. The first four days comprised two formal lectures, each of which was followed by a question-and-answer session. The fifth day comprised shorter, more informal presentations on topics requested by registrants. Workshop materials were provided to participants as electronic copies of presentation slide decks and reference lists (there was no hard copy workshop volume).
Video recordings of the presentations and pdf copies of the presentations and reference lists are available here. You can also watch all the videos on Youtube.
- Dave Pattison (University of Calgary, Canada)
- Jacob Forshaw (University of Calgary, Canada)
- Pierre Lanari (University of Bern, Switzerland)
- Dave Waters (University of Oxford, UK)
- Mark Caddick (Virginia Tech, USA)
- Doug Tinkham (Laurentian University, Canada)
Topics & Presenters
Monday May 10, 2021
- Overview of Thermodynamic Databases (Pierre Lanari)
- THERMOCALC and AvPT (Dave Waters)
Tuesday May 11, 2021
- Perple_X (Mark Caddick)
- Theriak-Domino (Doug Tinkham)
Wednesday, May 12, 2021
- Uncertainties and Best Practices (Dave Waters)
- Reactive Bulk Composition (Pierre Lanari)
Thursday, May 13, 2021
- The Influence of Kinetics (Dave Pattison, Jacob Forshaw)
- Assessment of Databases Against the Natural Record (Jacob Forshaw, Dave Pattison)
Friday, May 14, 2021
- Short presentations on topics requested by participants