About a decade ago, Mogk and others made a list of programs available to do thermodynamic calculations. They included
MELTS
TWQ
Perplex
THERMOCALC
Theriak-Domino
Please, can anyone tell me if others should be added to the list today? And, are all of these still available? At least one of them comes from the Pleistocene.
Thanks.
Dexter Perkins
Dept. Geology and Geological Engineering
University of North Dakota
Grand Forks ND 58202
(701)777-2991o; (701)757-0579h
dexter.perkins@engr.und.edu
That`s a nice topic to initiate.
Here additional software with their links:
WinTWQ: http://twq.petrochronology.org/
alphaMELTS: https://magmasource.caltech.edu/alphamelts/download.php
easyMELTS: https://magmasource.caltech.edu/gitlist/easyMelts.git/
Magma Chamber Simulator (MCS): https://mcs.geol.ucsb.edu/
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Στις Τετ, 8 Σεπ 2021 στις 5:24 μ.μ., ο/η Perkins, Dexter via MSA-talk <
msa-talk@minlists.org> έγραψε:
About a decade ago, Mogk and others made a list of programs available to
do thermodynamic calculations. They included
MELTS
TWQ
Perplex
THERMOCALC
Theriak-Domino
Please, can anyone tell me if others should be added to the list today?
And, are all of these still available? At least one of them comes from the
Pleistocene.
Thanks.
Dexter Perkins
Dept. Geology and Geological Engineering
University of North Dakota
Grand Forks ND 58202
(701)777-2991o; (701)757-0579h
dexter.perkins@engr.und.edu
MSA-talk mailing list -- msa-talk@minlists.org
To unsubscribe send an email to msa-talk-leave@minlists.org
Pierre Lanari has created several cutting edge programs in this area: https://pierrelanari.com/programs/
Cam
Catherine Macris (she/her/hers)
Assistant Professor
IUPUI Earth Sciences
723 W. Michigan St. SL118
Indianapolis, IN 46202
camacris@iupui.edu<mailto:camacris@iupui.edu>
https://camlab.earthsciences.iupui.edu
On Sep 8, 2021, at 10:34 AM, Ioannis Baziotis via MSA-talk <msa-talk@minlists.org<mailto:msa-talk@minlists.org>> wrote:
This message was sent from a non-IU address. Please exercise caution when clicking links or opening attachments from external sources.
That`s a nice topic to initiate.
Here additional software with their links:
WinTWQ: http://twq.petrochronology.org/
alphaMELTS: https://magmasource.caltech.edu/alphamelts/download.php
easyMELTS: https://magmasource.caltech.edu/gitlist/easyMelts.git/
Magma Chamber Simulator (MCS): https://mcs.geol.ucsb.edu/
----------------------------------------------------------------
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Assistant Professor of Mineralogy and Petrology
Agricultural University of Athens
Laboratory of Mineralogy and Geology
Athens, 11855 Greece
(+30)210-529-4155; (30)6975967914
Personal site: http://ibaziotis.wix.com/ioannis-baziotis
[https://docs.google.com/uc?export=download&id=1r-_vHOGSzKPj3ySyaHZ4509b699l0s7P&revid=0ByFSXftHOMK8TG1hQk4wMlhhaXlBN2FlUzNVQUxFQzB5cm5rPQ]<https://www.linkedin.com/in/ioannis-baziotis/>
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Στις Τετ, 8 Σεπ 2021 στις 5:24 μ.μ., ο/η Perkins, Dexter via MSA-talk <msa-talk@minlists.org<mailto:msa-talk@minlists.org>> έγραψε:
About a decade ago, Mogk and others made a list of programs available to do thermodynamic calculations. They included
MELTS
TWQ
Perplex
THERMOCALC
Theriak-Domino
Please, can anyone tell me if others should be added to the list today? And, are all of these still available? At least one of them comes from the Pleistocene.
Thanks.
Dexter Perkins
Dept. Geology and Geological Engineering
University of North Dakota
Grand Forks ND 58202
(701)777-2991o; (701)757-0579h
dexter.perkins@engr.und.edu<mailto:dexter.perkins@engr.und.edu>
_______________________________________________
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Στις Τετ, 8 Σεπ 2021 στις 5:46 μ.μ., ο/η Macris, Catherine <
camacris@iupui.edu> έγραψε:
Pierre Lanari has created several cutting edge programs in this area:
https://pierrelanari.com/programs/
Cam
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Catherine Macris (she/her/hers)
Assistant Professor
IUPUI Earth Sciences
723 W. Michigan St. SL118
Indianapolis, IN 46202
camacris@iupui.edu
https://camlab.earthsciences.iupui.edu
On Sep 8, 2021, at 10:34 AM, Ioannis Baziotis via MSA-talk <
msa-talk@minlists.org> wrote:
This message was sent from a non-IU address. Please exercise caution when
clicking links or opening attachments from external sources.
That`s a nice topic to initiate.
Here additional software with their links:
WinTWQ: http://twq.petrochronology.org/
alphaMELTS: https://magmasource.caltech.edu/alphamelts/download.php
easyMELTS: https://magmasource.caltech.edu/gitlist/easyMelts.git/
Magma Chamber Simulator (MCS): https://mcs.geol.ucsb.edu/
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Στις Τετ, 8 Σεπ 2021 στις 5:24 μ.μ., ο/η Perkins, Dexter via MSA-talk <
msa-talk@minlists.org> έγραψε:
About a decade ago, Mogk and others made a list of programs available to
do thermodynamic calculations. They included
MELTS
TWQ
Perplex
THERMOCALC
Theriak-Domino
Please, can anyone tell me if others should be added to the list today?
And, are all of these still available? At least one of them comes from the
Pleistocene.
Thanks.
Dexter Perkins
Dept. Geology and Geological Engineering
University of North Dakota
Grand Forks ND 58202
(701)777-2991o; (701)757-0579h
dexter.perkins@engr.und.edu
MSA-talk mailing list -- msa-talk@minlists.org
To unsubscribe send an email to msa-talk-leave@minlists.org
MSA-talk mailing list -- msa-talk@minlists.org
To unsubscribe send an email to msa-talk-leave@minlists.org
For sure Perplex is still there, and continuously developed/modified
Mauro Prencipe
Il giorno mer 8 set 2021 alle ore 16:37 Ioannis Baziotis via MSA-talk <
msa-talk@minlists.org> ha scritto:
That`s a nice topic to initiate.
Here additional software with their links:
WinTWQ: http://twq.petrochronology.org/
alphaMELTS: https://magmasource.caltech.edu/alphamelts/download.php
easyMELTS: https://magmasource.caltech.edu/gitlist/easyMelts.git/
Magma Chamber Simulator (MCS): https://mcs.geol.ucsb.edu/
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από ιούς. www.avast.com
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Στις Τετ, 8 Σεπ 2021 στις 5:24 μ.μ., ο/η Perkins, Dexter via MSA-talk <
msa-talk@minlists.org> έγραψε:
About a decade ago, Mogk and others made a list of programs available to
do thermodynamic calculations. They included
MELTS
TWQ
Perplex
THERMOCALC
Theriak-Domino
Please, can anyone tell me if others should be added to the list today?
And, are all of these still available? At least one of them comes from the
Pleistocene.
Thanks.
Dexter Perkins
Dept. Geology and Geological Engineering
University of North Dakota
Grand Forks ND 58202
(701)777-2991o; (701)757-0579h
dexter.perkins@engr.und.edu
MSA-talk mailing list -- msa-talk@minlists.org
To unsubscribe send an email to msa-talk-leave@minlists.org
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It depends on what is the purpose and P-T region, presence of aqueous
species, gases, etc.
There are new programs, such as GEMS (https://gems.web.psi.ch/).
The best for log K calculations at elevated P, T with H2O .. is SUPCRT
with its update (Zimmer et al. 2016,
http://dx.doi.org/10.1016/j.cageo.2016.02.013).
Materials scientists have programs which can be applied also to
geosciences, such as FACTSAGE (https://www.factsage.com/, others to be
added).
Aqueous thermodynamics can be done with GWB or PHREEQC (others to be
added: Toughreact, Phast, EQ3/6, CHESS, CrunchFlow and HydroGeochem).
Juro
On 9/8/2021 3:55 PM, Perkins, Dexter via MSA-talk wrote:
About a decade ago, Mogk and others made a list of programs available
to do thermodynamic calculations. They included
MELTS
TWQ
Perplex
THERMOCALC
Theriak-Domino
Please, can anyone tell me if others should be added to the list
today? And, are all of these still available? At least one of them
comes from the Pleistocene.
Thanks.
Dexter Perkins
Dept. Geology and Geological Engineering
University of North Dakota
Grand Forks ND 58202
(701)777-2991o; (701)757-0579h
dexter.perkins@engr.und.edu
MSA-talk mailing list -- msa-talk@minlists.org
To unsubscribe send an email to msa-talk-leave@minlists.org
--
Juraj Majzlan
Professor of Mineralogy
Friedrich-Schiller-Universität Jena
Institut für Geowissenschaften
Carl-Zeiss-Promenade 10
07745 Jena
Tel.: +49-3641-9-48700 or -48701
Fax: +49-3641-9-48702
I should add that I wrote a python program around alphamelts which allows one to run many alphamelts calculations across many CPUs (for example, to run 10,000 melts simulations and sample a distribution). If you are a coder you may find it useful: https://github.com/ZGainsforth/alphaMELTSEnsemble https://github.com/ZGainsforth/alphaMELTSEnsemble
Also, I should note that I’ve used HSC chemistry for some thermodynamics where you don’t need accurate mixing values. It contains end-member species and can only do ideal mixing — so folks doing magma chamber stuff will want to use one of the other packages. However, I do a lot of gas-solid interactions (solar nebula) and it is useful there.
There is also FactSage — I haven’t used it so maybe someone else can comment on it.
Zack
On Sep 8, 2021, at 7:34 AM, Ioannis Baziotis via MSA-talk msa-talk@minlists.org wrote:
That`s a nice topic to initiate.
Here additional software with their links:
WinTWQ: http://twq.petrochronology.org/ http://twq.petrochronology.org/
alphaMELTS: https://magmasource.caltech.edu/alphamelts/download.php https://magmasource.caltech.edu/alphamelts/download.php
easyMELTS: https://magmasource.caltech.edu/gitlist/easyMelts.git/ https://magmasource.caltech.edu/gitlist/easyMelts.git/
Magma Chamber Simulator (MCS): https://mcs.geol.ucsb.edu/ https://mcs.geol.ucsb.edu/
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Στις Τετ, 8 Σεπ 2021 στις 5:24 μ.μ., ο/η Perkins, Dexter via MSA-talk <msa-talk@minlists.org mailto:msa-talk@minlists.org> έγραψε:
About a decade ago, Mogk and others made a list of programs available to do thermodynamic calculations. They included
MELTS
TWQ
Perplex
THERMOCALC
Theriak-Domino
Please, can anyone tell me if others should be added to the list today? And, are all of these still available? At least one of them comes from the Pleistocene.
Thanks.
Dexter Perkins
Dept. Geology and Geological Engineering
University of North Dakota
Grand Forks ND 58202
(701)777-2991o; (701)757-0579h
dexter.perkins@engr.und.edu mailto:dexter.perkins@engr.und.edu_______________________________________________
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You can do all sorts of calculations with Equations of State, including
heat capacity, integrals of the contribution of the 'P-V' term to the
free energy and EoS of multi-phase mixtures, with EosFit from
www.rossangel.net .....EosFit is not just for fitting EoS o data.
On 08/09/2021 16:59, Mauro Prencipe via MSA-talk wrote:
For sure Perplex is still there, and continuously developed/modified
https://www.perplex.ethz.ch/ https://www.perplex.ethz.ch/
Mauro Prencipe
Il giorno mer 8 set 2021 alle ore 16:37 Ioannis Baziotis via MSA-talk
<msa-talk@minlists.org mailto:msa-talk@minlists.org> ha scritto:
That`s a nice topic to initiate.
Here additional software with their links:
WinTWQ: http://twq.petrochronology.org/
<http://twq.petrochronology.org/>
alphaMELTS:
https://magmasource.caltech.edu/alphamelts/download.php
<https://magmasource.caltech.edu/alphamelts/download.php>
easyMELTS: https://magmasource.caltech.edu/gitlist/easyMelts.git/
<https://magmasource.caltech.edu/gitlist/easyMelts.git/>
Magma Chamber Simulator (MCS): https://mcs.geol.ucsb.edu/
<https://mcs.geol.ucsb.edu/>
----------------------------------------------------------------
Ioannis Baziotis ibaziotis@aua.gr <mailto:ibaziotis@aua.gr>
Assistant Professor of Mineralogy and Petrology
Agricultural University of Athens
Laboratory of Mineralogy and Geology
Athens, 11855 Greece
(+30)210-529-4155; (30)6975967914
Personal site:http://ibaziotis.wix.com/ioannis-baziotis
<http://ibaziotis.wix.com/ioannis-baziotis>
<https://www.linkedin.com/in/ioannis-baziotis/>
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Στις Τετ, 8 Σεπ 2021 στις 5:24 μ.μ., ο/η Perkins, Dexter via
MSA-talk <msa-talk@minlists.org <mailto:msa-talk@minlists.org>>
έγραψε:
About a decade ago, Mogk and others made a list of programs
available to do thermodynamic calculations. They included
MELTS
TWQ
Perplex
THERMOCALC
Theriak-Domino
Please, can anyone tell me if others should be added to the
list today? And, are all of these still available? At least
one of them comes from the Pleistocene.
Thanks.
Dexter Perkins
Dept. Geology and Geological Engineering
University of North Dakota
Grand Forks ND 58202
(701)777-2991o; (701)757-0579h
dexter.perkins@engr.und.edu <mailto:dexter.perkins@engr.und.edu>
_______________________________________________
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--
Dr. Ross John Angel
Istituto di Geoscienze e Georisorse, CNR
Via Giovanni Gradenigo, 6, 35131 Padova, Italy
rossjohnangel@gmail.com
Websites: www.rossangel.net | www.mineralogylab.com