Jim Palandri
Research Associate

Department of Earth Sciences
1272 University of Oregon
Eugene, Oregon 97403-1272

Jim might be found in:
Ilya Bindeman's stable isotope lab
Jim Watkins' or one of the other second floor labs
TSA's various shops, hanging with mi paesani

A ongoing project is restoration of Gastherm.dat, the thermodynamic database for programs GASWORK, SOLVGAS, and VOLCAL. These volcanic gas modeling programs are analogous to programs Chim-XPT, Solveq-XPT, and Geocal-XPT (which use file Soltherm.XPT as their database) except that the mobile phase carrying all of the chemical components is gaseous rather than aqueous.

  - GASWORKS computes multi-phase equilibria among gases, minerals, other solids, and condensed liquids, where temperature, composition, or the fugacity of a gas, can each be changed incrementally to create a reaction path model. Pressure is currently limited to 1 bar.
  - SOLVGAS computes equilibria within the gas phase only, and determines the degree of super- or under-saturation of the gas with respect to solids and liquids that could precipitate as sublimates or condensates. It is well suited for restoring analyses of volcanic gases and modeling the speciation of gas mixtures.
  - VOLCAL is for converting volcanic gas analyzed compositions in moles, mole%, or mole% for major gases and ppm in condensate for trace elements, to moles only, and to create the files used for input for both SOLVGAS and GASRUN.
  - Related items

Handy links to mostly local reference info. Some *off-site and so commonly with broken links:

Items related to local applications Chim-XPT, Solveq-XPT, and Geocal-XPT —
 - Soltherm.XPT (zip) —  Now with tourmaline and latest basis set component #66† univalent lithium. Sweet, sweet, lithium  —  Based on internally consistent mineral and gas phase data from Holland and Powell 2011, and updated Supcrt92 aqueous species data
 - XPT-LogK — a utility for extracting and interpolating log K's in Soltherm
 - Solprint-2011-XPT.txt — distilled from SOLTHERM as a user reference, showing balanced reactions and log K's limited to liquid-vapor saturation from 25 to 350 °C
 - SolthermBRGM.XPT | SolprintBRGM.txt — *BRGM *Thermoddem data, reformatted from the ToughReact *version.  For the Martians, and other low temperature peoples
 - Gas.sto — gas stoichiometry data for program Geocal-XPT | Minox.dat — reactant stoichiometry data for Chim-XPT
 - Manuals: Solveq-XPT and Chim-XPT
 - Fugacity coefficients in mixtures of H2O, CO2, and NaCl at high P and T: program FUGCO, with a worked example as in the cited reference, and included as subroutines in Chim-XPT
 - Delicious water, what are thine properties? So too ethereal vapor phase thereof - Steam Tables - pdf, csv

Supcrt-related items for computing log K's in Soltherm —
 - Supcrt92.zip — the original distribution from Johnson et al. 1992 using Maier-Kelly heat capacity: Cp = a + b T + c T-2
 - Supcrt96 | Source | Win32 — derived from Supcrt92 to use Maier-Kelly heat capacity, and adding Powell and Holland 1990: Cp = a + b T + c T-2 + d T-0.5
 - Cprons96 | Source | Win32 — derived from Cprons92. Converts any (including any of those for Supcrt92) properly formatted sequential access database to direct access, suitable for use with Supcrt96

Some items related to the data used by Supcrt —
 - *Thermocalc — for phase equilibria computations — application and data from Tim *Holland.  The primary application for which the Holland and Powell 2011 compiled their data
 - The most current Supcrt92 data might be found at the Gitlab ENKI portal, in Everett Shock's Geopig workgroup space, file Slop16.dat. This group has done phenomenal work in adding data for organic compounds. Changes in slop16 relative to 07 include the addition of many new organic compounds, now for the first time including crystalline solids(!); changes to inorganic aqueous species are minimal and not yet adopted in SOLTHERM.

Notes regarding files SPRONS and DPRONS — Sequential-, and Direct-access PROperties of Natural Substances, as per Johnson et al 1992. The sequential access file is for data editing, and is then processed by Cprons into the direct access version for increased Supcrt execution speed.
 - SPRONS92.DAT — The original masterpiece
 - SpronsHP2011.dat — The current sequential access version contains aqueous species from Slop07.dat and SpronsAqs, and minerals and gases from SpronsH&P2011minerals, from Slop07 those that are not already present in SpronsH&P2011, and from Sprons96Misc
 - ***Spronshp2011GT.dat — A provisional version of SPRONS for updating the GASTHERM database for programs SOLVGAS and GASWORKS currently containing 758 gases.
 - dpronshp.dat -  The above file piped through Cprons96 and ready to use with Supcrt96
 - SpronsH&P2011minerals.dat — Mineral and gas phase data derived from Holland and Powell 2011 in the format for which Supcr96 and Cprons96 were originally hacked in 1996. The data is *updated and revised occasionally by Holland and Powell; the 2011 version can be found here
 - Sprons96Misc.dat — Bonus mineral and gas phase data from other sources, also properly formatted for Supcrt96
 - SpronsAqs.dat — Bonus aqueous phase data too, properly formatted for any version of Supcrt. In particular, H4SiO4,aq. from Stefαnsson 2001; rarely does so very much hinge upon so very little
 - Locally there are two SPRONS variants, Slop16.dat from Shock et al. with only added H4SiO4,aq. from Stefαnsson, and SpronsHP2011.dat with identical aqueous species, all of SpronsH&P2011minerals.dat, and the other miscellaneous items from Sprons96Misc.dat and SpronsAqs.dat

Other miscellaneous links:

Experimental petrology —
 - CSPV North — LabVIEW v.2012sp1/WinXP
 - CSPV South — LabVIEW v.2018/Win10-64
 - Related items

Isotope ratio mass spectrometry —
 - Some info on laser fluorination
 - More mostly reference info

Fluid inclusions —
 - Some photos of the setup, before it was boxed up

Just for fun —
 - Geologic map [A, B, L] of Muddy Ranch and vicinity, north of Currant and Muddy Creeks, Wasco, Wheeler, and Jefferson Counties, Oregon (1993). Aka Washington Family Ranch, and before that Rajneeshpuram
 - Streetcar map of Eugene, OR, 1907-1928 — Exposed track is still be seen on Moss, Columbia, and University Streets. Modified from a map published in Eugene Weekly in 2008
 - Some photographs of the I-5 Whilamut Passage Bridge replacement and related construction, near milepost OR 192
 - Related items

The data —
 - It wants to be free

Bringing us to 55 of 82‡ stable elements in the Soltherm basis set. The other items being metastable acetate, oxalate, succinate, malonate, aqueous CH4, H2, N2, and NH3, radioactive UO2+ and Pm+3, and alternate redox component O2 - redox state is defined by either paired sulfate-sulfide or H2O-O2. A legacy from the era of 16-bit operating systems, when use of sulfide for an oxidizing system, or O2 for a reducing system, might cause an array underflow — or that was claimed to be the case but will never be verified. Since water must be present and sulfate is so common, basis components sulfide and O2 were hard coded to be mutually exclusive. Pick one.
‡ Bismuth-209 undergoes α-decay to 205Tl with a half-life of 2.01x1019 years, or, ~1.46x1009 times the 1.38*1010 or so year age of our observable universe. To not be a pedant but only in this one case, bismuth is deemed stable. So 82 rather than 81.

- Vetinari