PTQuick
PTQuick: the program for estimation of equilibrium parameters for mineral assemblages using methods of classical geothermobarometry
PTQuick is a handy ©MS Windows program for estimation of equilibrium parameters (temperatures, pressures, oxygen fugacities) for mineral parageneses using methods of classical geothermobarometry, i.e. by independent expressions and algorithms ("tools") developed by different authors.
A special attention is paid to convenience and efficiency of working, that makes obtaining final results easy and fast:
- simultaneous work with large sets of samples;
- fast "intelligent" import of tabulated data on mineral compositions from ©MS Excel or text ASCII-files with immediate calculation of formulae coefficients (by two methods);
- automatic selection of available tools based on full set of imported compositional data and on data present for separate samples;
- automatic recalculation and plotting of mineral equilibrium curves while a user navigates the table of analyses (at changes of samples) or the diagram window;
- estimation and plotting of intersection points for selected equilibria (geothermometers and geobarometers, geothermometers and oxybarometers, etc.) for all imported samples, as well as performing of "chain" calculations (estimation of P-T parameters from intersection of geothermometer and geobarometer with their following use in the expression of oxybarometer);
- plotting of different reference curves on diagrams (e.g. lines of transitions between polymorphs, conductive geotherms, etc.);
- two variants for user-specified sets of selected tools and reference lines;
- fast copy of diagrams, tables with calculated mineral analyses and tabulated results of parameters' calculations to the Windows clipboard for the following use in other programs (e.g. in ©MS Word, ©MS Excel, ©Corel Draw, etc.);
- opportunities for the program customization and more...
All the thermodynamic calculations (sensors' procedures, or tools' database) in PTQuick are implemented as a separate open-source module, so that you can investigate and modify their actually working algorithms: I think this idea is very important for such scientific programs.
The database of tools is implemented as a dynamically linked library (PTools.dll), i.e. correction or addition of new tools involves editing of its source text by the programmer with following compilation and linking in the ©Borland Delphi programming environment (instructions about these operations are provided in supplied sources of the library, where you can also check how all the tools are implemented).
Moreover, there is an opportunity in PTQuick for use of additional external tools implemented as separate small programs (executable exe-files) that communicate with the host program via small text files having very simple format.
While the current set of tools (near 150) is focused mostly on HP and UHP rocks (lower crust and upper mantle conditions) and some of them are only of historical interest, a wider range of conditions and mineral associations can be easily covered. However, addition of all known tools is not planned: I'll add new tools on your requests only.
PTQuick was developed in close cooperation with Sergey K. Simakov who is the author of several geothermometers, geobarometers and oxybarometers. As for the tool set and some ideas, PTQuick is a descendant of the >15-years old DOS-program GEOTHERM that was developed by Mikhail V. Ivanov and Sergey K. Simakov for geothermobarometric investigations of high-pressure and ultra-high-pressure rocks.
List of sensors implemented in PTQuick can be viewed on (and downloaded from) Google Drive or Yandex Disk
How to work with PTQuick (basic operations demo, program version 1.0):
Comments
Hbl-Pl thermobarometry Molina et al. 2015
Dear Dmitry,
I am impressed by your brilliant software! Super handy and useful!!
Could you please add one more Hbl-Pl thermobarometry from Molina et al. 2015 Lithos.
http://dx.doi.org/10.1016/j.lithos.2015.06.027
Thank you very much and look forward to your updates!
Best regards
Hbl-Pl thermobarometry Molina et al. 2015
Hello!
Thank you for appreciating the program!
I'm going to add this thermometer within a week or a little longer, I was already asked for it a couple of weeks ago.
Hbl-Pl thermobarometry Molina et al. 2015
Hello,
I added this geobarometer: check out the updated PTools.dll (+ Tools.dat & Sets.dat)!
Dear Dmirty,
Dear Dmirty,
The Hbl-Pl pair of Molina et al. (2015) is not displayed under the Tool section of the program, though my sample is mafic amphibolite. Is there any error with me?
Warm regards,
Eyob
Hbl-Pl thermobarometry Molina et al. 2015
Dear Eyob,
The Hbl-Pl geobarometer of Molina et al. (2015) should appear under the Tools – Barometers – Hbl-Pl section, if amphibole and plagioclase analyses with the same Sample Id (and Field Id, if used) are present in your table.
NB: there is no amphibole-plagioclase geothermometer in this article, only an amphibole-glass one.
Sincerely,
Dmitry
Hbl-Pl barometers
Dear Dmirty,
Once again thanks for your great help.
Unfortunately, I could not get the pair of Hbl-Pl of Molina et al. (2015) so far. There are only Mutch et al. (2016), Anderson and Smith (1995) and Schmidt (1992) for Hbl (Bt Pl Qtz), and Bhadra and Bhattacharya (2007) for Hbl-Pl (Qtz) barometers.
Sincerely,
Eyob
Hbl-Pl barometers
Dear Eyob,
It's strange. Is the version of PTools.dll 1.4.0.16 or higher? Is there a description of this barometer (starting with "Tool=267" in the line #1867) in the Tools.dat file?
Hbl-Pl barometers
Dear Dmitry,
There is no description of this barometer in the stated line number in the Tools.dat file. May I need to update the program?
Sincerely
Eyob
Dear Eyob,
Dear Eyob,
Yes, you have to download archive with the last version of PTools.dll (1.4.0.29 now) and related files. Window "Parameters" – button "About" – button "Update DLL".
Thanks a lot, dear.
Thanks a lot, dear.
Hbl-Pl thermometer
Dear Dmitry
Please, would you mind if you can add a a recently recalibrated amphibole-plagioclase thermometer by Molina et al. (2021; https://doi.org/10.2138/am-2021-7400) to your program?
Best regards
Eyob
Hbl-Pl thermometer
Dear Eyob,
I have already been asked to add this thermometer twice and it is in the plans, but I haven’t had the opportunity to finish it yet, there are quite a lot of expressions there. I hope that in the very near future it will appear in PTQuick along with another thermometer (the mantle one).
Hbl-Pl thermometer
Dear Eyob,
I've added all 3 expressions of Am-Pl geothermometer from Molina et al. (2021)
Hbl-Pl thermometer
Dear Dmitry,
I can't thank you enough!
Hbl-Pl thermometer
Dear Dmitry,
After I updated the program for the Hbl-Pl thermometer, I received the following error message: ''external tool P_Gtrm.exe not found (Tools.dat, line #2187)''. I tried repeatedly, but the same error message was found.
I appreciate the help you always provide.
Eyob
Hbl-Pl thermometer
Dear Eyob,
I apologize, it's my mistake: I forgot to remove the two test expressions from Tools.dat for public distribution! The solution is simple: just remove the blocks from Tools.dat related to them, starting from line #2187:
Tool=-3;P_Gtrm
Type=P
Name=Conductive Geotherm HC11
Reference=Hasterok D. & Chapman D.S. Heat production and geotherms for the continental lithosphere // Earth Planet. Sci. Lett., 2011, v.307, n.1-2, p.59-70 DOI:10.1016/j.epsl.2011.04.034
Comment=Conductive geotherm as a barometer (as external tool)
Tool=-4;T_T98
Type=T
Name=Taylor, 1998(ext)
Reference=Taylor W.R. An experimental test of some geothermometer and geobarometer formulations for upper mantle peridotites with application to the thermobarometry of fertile lherzolite and garnet websterite // Neues Jahrbuch fur Mineralogie. Abhandlungen, 1998, v.172(2-3), p.381-408
Minerals=Cpx Opx
Comment=Upper mantle peridotites and lherzolites, P=10-35 kbar, T=1050-1260°C (as external tool)
or download the updated PTools0.zip with the corrected Tools.dat
Hbl-Pl thermometer
Thanks, dear Dmitry. The problem is fixed.
Geothermobarometer
Hello,
Would you mind if you added the biotite-muscovite geobarometer of Wu (2020) and muscovite-biotite geothermometer of Hoisch (1989) to your beloved program?
Geothermobarometer
Hi Eyob,
I have already added Bt-Mu(+Ilm,Ru,Als,Qtz) geobarometers from Wu (2020), https://doi.org/10.1016/j.lithos.2020.105668 , you can find 3 separate expressions for assemblages with And, Sil and Ky.
Wait for the Bt-Mu geothermometer from Hoisch (1989), I will add it in a day or two.
Regards,
Dmitry
Geothermobarometer
Hi Eyob,
I've added Bt-Mu geothermometer of Hoisch (1989) to PTools.dll + Tools.dat and Sets.dat, you can download updated versions of these files.
Regards,
Dmitry
Hi Dmitry,
Hi Dmitry,
Thank you for your quick response.
Best
Eyob
Chlorite geothermometer and spghalerite geobarometer
Dear Dmitry,
Could you please add another chlorite geothermometer from the paper by Lanari (https://link.springer.com/article/10.1007/s00410-014-0968-8)? And I'm also wondering if you could add a sphalerite geobarometer from the paper by Hutchison and Scott (https://www.sciencedirect.com/science/article/abs/pii/0016703783900947)?
Thank you very much and looking forward to updates!
Greetings
Chlorite geothermometer and spghalerite geobarometer
Dear Jacek,
I'll add this chlorite geothermometer in the next few days (yet before the NY). However, I can't add a sphalerite geobarometer because it uses sulfur, which is not in the predefined fixed set of elements used in PTQuick. At least the current versions of PTQuick do not allow this, sorry!
With best regards,
Dmitry
Chlorite geothermometer and sphalerite geobarometer
Dear Dmitry,
Thank you for your quick reply. I was afraid that you would refuse to add a sphalerite geobarometer. Nevertheless, thank you very much for adding the chlorite geothermometer.
Regards,
Jacek
Chlorite geothermometer and sphalerite geobarometer
Dear Jacek,
I've added this Chlorite(+Quartz) geothermometer to the new version of PTools.dll along with some other expressions:
Regards,
Dmitry
Chlorite geothermometer and sphalerite geobarometer
Dear Dmitry,
Thank you very much. You are as usual reliable.
I wish you a Happy New Year!
With best regards,
Jacek
Questions using this software
Dear Dima,
Thank you for developing such a beautiful tool. When I am using a grt-bt thermometers, The software only shows the pressure results of the garnet barometer.
Questions using this software
Hello,
Typically, this behavior indicates a naming problem: the program combines Grt and Bt analyzes with identical Sample and Field (=Area) IDs only, following the standard simple logic: one rock sample (or thin section) can have several local areas with closely spaced analyses of Grt and Bt. Only these analyses should be combined.
Thank you.
Thank you.
Geothermobarometers
Dear Dmitry,
Would you mind adding these geothermobarometers? plagioclase-biotite-garnet-muscovite assemblages by Ghent and Stout (1981): https://doi.org/10.1007/BF00373688. Thank you.
Chlorite-Phengite question
First of all, thank you so much for this very useful and great site. I have questions about this chlorite-phengite thermobarometer paper (https://doi.org/10.1002/gj.856). Is it possible to also add this to the program? I am not sure about the assemblages required to use this. Thank you again.
Best regards,
psps
Chlorite-Phengite question
Dear psps,
Sorry for the late reply!
Unfortunately, it's very difficult to add Chl-Phg thermobarometry from Vidal & Parra (2000) to PTQuick. It takes advantages of the multiequilibrium thermobarometry implemented in TWQ program, which deals with different sets of many equilibria and analyzes all suitable intersections simultaneously, whereas PTQuick uses separate thermometers and barometers and cannot find the intersection of two thermometers or two barometers. I see also another possible issue: many equilibria involve water but its activity is not discussed in the paper (it is assumed that aH2O=1), whereas positions of these equilibria strongly depends on this parameter. I think this is an over-simplification nowadays.
Sincerely,
Dmitry DD
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