2021-Mar-01
Hello metamorphic folk,
The no-cost virtual (on-line) thermodynamic modelling workshophttp://e-thermo-workshop-2021.petrochronology.org/, to be held Monday to Friday, May 10 to 14, 2021, is now open for registrationhttp://e-thermo-workshop-2021.petrochronology.org/registration/.
Registration deadline: Sunday, April 11, 2021
Enrollment limit: 250 (first-come, first-served)
You must register to attend some or all of the workshop. A circular just to registrants will be sent out in the middle-end of April, 2021, after registration closes. It will include a meeting link and password to attend the meeting, or for access to recorded lectures.
Workshop details, including topics and presentershttp://e-thermo-workshop-2021.petrochronology.org/topics-and-presenters/, and logistical information for participantshttp://e-thermo-workshop-2021.petrochronology.org/information/, are provided on the workshop website, as well as at the bottom of this message.
We’re looking forward to your participation!
Regards,
Dave Pattison
Jacob Forshaw
Doug Tinkham
Pierre Lanari
Mark Caddick
Dave Waters
Virtual (on-line) thermodynamic modelling workshop May 10 to 14, 2021
Phase equilibrium modelling: approaches and pitfalls
Cost: free
Platform: Zoom
Time each day (Monday to Friday, May 10 to 14, 2021):
07:00-10:00 Pacific Standard Time
08:00-11:00 Mountain Standard Time
09:00-12:00 Central Standard Time
10:00-13:00 Eastern Standard Time
15:00-18:00 British Summer Time
16:00-19:00 Central European Time
19:30-22:30 India Standard Time
22:00-01:00 China Standard Time/Australian Western Standard Time
23:00-02:00 Japan Standard Time
00:00-03:00 Australian Eastern Standard Time
Lecture format:
Lectures will be “synchronous”, i.e., “live” (pre-recorded lectures will not be prepared)
However, lectures will be recorded and made available to registrants who can’t attend the live lectures
Conduct of discussion/Q&A following lectures:
For first four days of formal lectures (see schedule below):
Moderated, at least initially (questions submitted over Zoom chat or email)
As discussion evolves in response to questions and answers, may open up for anyone to speak
For last “open” day:
To be decided
Involvement of Societies and warehousing of workshop materials
The following societies support the workshop and have agreed to be repositories for workshop materials on their websites, including: Mineralogical Association of Canada; Mineralogical Society of America; Mineralogical Society of Great Britain & Ireland; Société Française de Minéralogie et de Cristallographie.
Workshop content, presenters and schedule
On-line workshop: Phase equilibrium modelling: approaches and pitfalls
Organizers: Dave Pattison (U Calgary), Jacob Forshaw (U Calgary), Doug Tinkham (Laurentian U), Mark Caddick (Virginia Tech), Pierre Lanari (U Bern), Dave Waters (U Oxford)
All practicing and up-and-coming metamorphic geoscientists need to have a nuanced understanding of the potential and the pitfalls of modern phase equilibrium modelling. The aim of the workshop is to present and discuss (1) the most commonly-used phase equilibrium modelling software packages currently available (THERMOCALC, Perplex, Theriak-Domino), focusing on their capabilities and pros/ cons, and (2) the factors influencing the reliability of phase equilibrium modelling, including thermodynamic database/a-X models, effective bulk composition, and kinetics. The virtual (on-line) workshop will comprise eight approximately 1.5-hour sessions of which one third to one half of each session is dedicated to discussion. Workshop materials available to registered participants will comprise electronic copies of presentation slide decks, reference lists and recorded lectures.
Topics and presenters:
Days 1 and 2: M May 10 and T May 11, 2021
Thermodynamic databases and phase equilibrium modelling software packages
M May 10, session 1a: Overview of thermodynamic databases and a-X models (Pierre Lanari)
M May 10, session 1b: THERMOCALC and AvePT (Dave Waters)
Tu May 11, session 2a: Perplex (Mark Caddick)
Tu May 11, session 2b: Theriak-Domino and summary/comparison of different software packages (Doug Tinkham)
Days 3 and 4: W May 12 and Th May 13, 2021
Factors influencing the reliability of phase equilibrium modelling
W May 12, session 3a: Uncertainties and "best practices" in phase equilibrium modelling (Dave Waters)
W May 12, session 3b: Effective bulk composition (Pierre Lanari)
Th May 13, session 4a: The influence of kinetics (Dave Pattison, Jacob Forshaw)
Th May 13, session 4b: Assessment of databases/a-X models against the natural record (Jacob Forshaw, Dave Pattison)
Day 5: F May 14, 2021
Open discussion
Topics to be discussed will be based on responses to this question on the registration website
What will and won’t be covered in the workshop
The workshop assumes a reasonable level of familiarity with phase equilibrium modelling, i.e., it is not an introduction to phase equilibrium modelling.
Participants should have a reasonable understanding of:
- Why we conduct phase equilibrium modelling
- Thermodynamic parameters: Gibbs free energy; enthalpy; entropy; heat capacity; volume (and the relation of these parameters to pressure and temperature); activity; chemical potential
- The difference between classical thermobarometry (e.g., garnet-biotite thermometry) and phase diagram-based modelling
Concerning the software packages under consideration at the workshop - THERMOCALC, Perple_X and Theriak-Domino - the workshop will not be a “how-to” treatment of any of them, although some program-specific procedural aspects will be discussed. Instead, discussion will focus mainly on the differences, strengths and weaknesses of them. It would be beneficial to have used one or more of the three phase equilibrium software packages, but it is not obligatory.
Each software package has a web site with tutorials:
https://hpxeosandthermocalc.org/
https://titan.minpet.unibas.ch/minpet/theriak/theruser.html
http://www.perplex.ethz.ch/
If it is desired to have a refresher of thermodynamics in advance of the workshop, we recommend any of the following references:
Anderson, G.M. (1996) Thermodynamics of natural systems. New York: Wiley. (small soft-back).
Anderson, G.M. (2005) Thermodynamics of natural systems. 2nd edition. Cambridge University Press. Free download:
https://www.academia.edu/8435624/Anderson_2005_Thermodynamics_of_Natural_Systems?auto=download
Powell, R., 1978. Equilibrium thermodynamics in petrology: An introduction. Harper & Row: London, 284 pp. Free download:
https://hpxeosandthermocalc.files.wordpress.com/2019/08/powell_1978_15mb.pdf
Spear, F.S. (1993). Metamorphic Phase Equilibria and Pressure-Temperature-Time Paths. Mineralogical Society of America Monograph. 799 pp.
Wood, B.J. & Fraser, D.G., 1977. Elementary thermodynamics for geologists. Oxford University Press: Oxford. 303 pp.
David R.M. Pattison
Department of Geoscience
University of Calgary
ES 154 | 2500 University Drive NW, Calgary, Alberta, CANADA T2N 1N4
T: 403.220.3263 | pattison@ucalgary.camailto:pattison@ucalgary.ca | ucalgary.ca/metamorphic-geologyhttps://ucalgary.ca/metamorphic-geology
2021-Mar-01
Hello metamorphic folk,
The no-cost virtual (on-line) thermodynamic modelling workshop<http://e-thermo-workshop-2021.petrochronology.org/>, to be held Monday to Friday, May 10 to 14, 2021, is now open for registration<http://e-thermo-workshop-2021.petrochronology.org/registration/>.
Registration deadline: Sunday, April 11, 2021
Enrollment limit: 250 (first-come, first-served)
You must register to attend some or all of the workshop. A circular just to registrants will be sent out in the middle-end of April, 2021, after registration closes. It will include a meeting link and password to attend the meeting, or for access to recorded lectures.
Workshop details, including topics and presenters<http://e-thermo-workshop-2021.petrochronology.org/topics-and-presenters/>, and logistical information for participants<http://e-thermo-workshop-2021.petrochronology.org/information/>, are provided on the workshop website, as well as at the bottom of this message.
We’re looking forward to your participation!
Regards,
Dave Pattison
Jacob Forshaw
Doug Tinkham
Pierre Lanari
Mark Caddick
Dave Waters
Virtual (on-line) thermodynamic modelling workshop May 10 to 14, 2021
Phase equilibrium modelling: approaches and pitfalls
Cost: free
Platform: Zoom
Time each day (Monday to Friday, May 10 to 14, 2021):
07:00-10:00 Pacific Standard Time
08:00-11:00 Mountain Standard Time
09:00-12:00 Central Standard Time
10:00-13:00 Eastern Standard Time
15:00-18:00 British Summer Time
16:00-19:00 Central European Time
19:30-22:30 India Standard Time
22:00-01:00 China Standard Time/Australian Western Standard Time
23:00-02:00 Japan Standard Time
00:00-03:00 Australian Eastern Standard Time
Lecture format:
Lectures will be “synchronous”, i.e., “live” (pre-recorded lectures will not be prepared)
However, lectures will be recorded and made available to registrants who can’t attend the live lectures
Conduct of discussion/Q&A following lectures:
For first four days of formal lectures (see schedule below):
Moderated, at least initially (questions submitted over Zoom chat or email)
As discussion evolves in response to questions and answers, may open up for anyone to speak
For last “open” day:
To be decided
Involvement of Societies and warehousing of workshop materials
The following societies support the workshop and have agreed to be repositories for workshop materials on their websites, including: Mineralogical Association of Canada; Mineralogical Society of America; Mineralogical Society of Great Britain & Ireland; Société Française de Minéralogie et de Cristallographie.
Workshop content, presenters and schedule
On-line workshop: Phase equilibrium modelling: approaches and pitfalls
Organizers: Dave Pattison (U Calgary), Jacob Forshaw (U Calgary), Doug Tinkham (Laurentian U), Mark Caddick (Virginia Tech), Pierre Lanari (U Bern), Dave Waters (U Oxford)
All practicing and up-and-coming metamorphic geoscientists need to have a nuanced understanding of the potential and the pitfalls of modern phase equilibrium modelling. The aim of the workshop is to present and discuss (1) the most commonly-used phase equilibrium modelling software packages currently available (THERMOCALC, Perplex, Theriak-Domino), focusing on their capabilities and pros/ cons, and (2) the factors influencing the reliability of phase equilibrium modelling, including thermodynamic database/a-X models, effective bulk composition, and kinetics. The virtual (on-line) workshop will comprise eight approximately 1.5-hour sessions of which one third to one half of each session is dedicated to discussion. Workshop materials available to registered participants will comprise electronic copies of presentation slide decks, reference lists and recorded lectures.
Topics and presenters:
Days 1 and 2: M May 10 and T May 11, 2021
Thermodynamic databases and phase equilibrium modelling software packages
M May 10, session 1a: Overview of thermodynamic databases and a-X models (Pierre Lanari)
M May 10, session 1b: THERMOCALC and AvePT (Dave Waters)
Tu May 11, session 2a: Perplex (Mark Caddick)
Tu May 11, session 2b: Theriak-Domino and summary/comparison of different software packages (Doug Tinkham)
Days 3 and 4: W May 12 and Th May 13, 2021
Factors influencing the reliability of phase equilibrium modelling
W May 12, session 3a: Uncertainties and "best practices" in phase equilibrium modelling (Dave Waters)
W May 12, session 3b: Effective bulk composition (Pierre Lanari)
Th May 13, session 4a: The influence of kinetics (Dave Pattison, Jacob Forshaw)
Th May 13, session 4b: Assessment of databases/a-X models against the natural record (Jacob Forshaw, Dave Pattison)
Day 5: F May 14, 2021
Open discussion
Topics to be discussed will be based on responses to this question on the registration website
What will and won’t be covered in the workshop
The workshop assumes a reasonable level of familiarity with phase equilibrium modelling, i.e., it is not an introduction to phase equilibrium modelling.
Participants should have a reasonable understanding of:
- Why we conduct phase equilibrium modelling
- Thermodynamic parameters: Gibbs free energy; enthalpy; entropy; heat capacity; volume (and the relation of these parameters to pressure and temperature); activity; chemical potential
- The difference between classical thermobarometry (e.g., garnet-biotite thermometry) and phase diagram-based modelling
Concerning the software packages under consideration at the workshop - THERMOCALC, Perple_X and Theriak-Domino - the workshop will not be a “how-to” treatment of any of them, although some program-specific procedural aspects will be discussed. Instead, discussion will focus mainly on the differences, strengths and weaknesses of them. It would be beneficial to have used one or more of the three phase equilibrium software packages, but it is not obligatory.
Each software package has a web site with tutorials:
https://hpxeosandthermocalc.org/
https://titan.minpet.unibas.ch/minpet/theriak/theruser.html
http://www.perplex.ethz.ch/
If it is desired to have a refresher of thermodynamics in advance of the workshop, we recommend any of the following references:
Anderson, G.M. (1996) Thermodynamics of natural systems. New York: Wiley. (small soft-back).
Anderson, G.M. (2005) Thermodynamics of natural systems. 2nd edition. Cambridge University Press. Free download:
https://www.academia.edu/8435624/Anderson_2005_Thermodynamics_of_Natural_Systems?auto=download
Powell, R., 1978. Equilibrium thermodynamics in petrology: An introduction. Harper & Row: London, 284 pp. Free download:
https://hpxeosandthermocalc.files.wordpress.com/2019/08/powell_1978_15mb.pdf
Spear, F.S. (1993). Metamorphic Phase Equilibria and Pressure-Temperature-Time Paths. Mineralogical Society of America Monograph. 799 pp.
Wood, B.J. & Fraser, D.G., 1977. Elementary thermodynamics for geologists. Oxford University Press: Oxford. 303 pp.
David R.M. Pattison
Department of Geoscience
University of Calgary
ES 154 | 2500 University Drive NW, Calgary, Alberta, CANADA T2N 1N4
T: 403.220.3263 | pattison@ucalgary.ca<mailto:pattison@ucalgary.ca> | ucalgary.ca/metamorphic-geology<https://ucalgary.ca/metamorphic-geology>