A.Gysi New Mexico Bureau of Geology & Mineral Resources Send feedback to: Alexander.Gysi@nmt.edu -------------------------- Installation of MINES19: Click on MINES19 to download the DB18.default folder: 1. Unzip the archive. 2. Copy the files within the folder to the DB.default folder of your gems3.app installed subfolder by copying-pasting the files with .pdb and .ndx extensions. In Linux this folder is in /Gems3-app/Resources/DB.default; In Mac OSX this folder is in /Applications/gems3 then right-click show package content and go to Contents/Resources/DB.default; In Windows this folder should be in /Gems3-app/Resources/DB.default. 3. Start GEM-Selektor v.3.5 and make a new project. 4. Select the database files 3rdparty/mines/. and support (see also additional screenshots). For solid solutions (advanced users) select also 3rdparty/mines/ss 5. Proceed as usual when creating a project. For the aqueous model and gas/fluid mixture model please select the extended Debye-Hueckel equation (Helgeson) and the PRSV model for non-ideal gases (also shown in the additional screenshots). Do not forget, you have an extensive list of minerals included in this database. For your specific modeling purpose, I suggest that in thermodynamic database mode you switch to the "Phase" module, and delete minerals that are not relevant for your specific project. Also, for less advanced users, I suggest not using the feldspar and other solid solution models (3rdparty/mines/ss) but only their end members, which are all included in the standard mines database (3rdparty/mines/.). -------------------------- New in MINES19 database (November 2019) - added new selection process for phases from the database; the solid solutions include the following options: --with ss (select solid solutions and pure phases not in the ss) --without ss (select all the pure endmembers) - minor fixes in phases (removed mordenite and alunite, thermo data need to be revised) - updates on monazite endmembers, added DComp data from experimental solubility work of Gysi et al. (2018) + new monazite Phase listed as ideal solid solution (work in progress) - added DComp only (no phase) of monazite with orginial calorimetric data (REEPO4_cal_data), so user can choose its prefered dataset to create a monazite phase (work in progress) -------------------------- New in mines2018 database (July 2019) few highlights are listed here: - Added mineral dataset from Robie and Hemingway (1995) database. - DComp supcrt aqueous species data updated: -- Core dataset for Al-,Ca-, Si-, K-, CO2-, Mg-, Na-species from internally consistent (with H&P98 minerals) database from Miron et al. (2016; 2017). -- Au-Ag-Cu-Zn-Pb-Zn bisulfide, chloride, hydroxyl complexes from Akinfiev and Zotov (2001,2003,2010), Akinfiev and Tagirov (2014), Liu and McPhail (2005), Brugger et al. (2007). -- ReacDC AuOH and AuCl2- from Stefansson and Seward (2003), Zn chloride from Mei et al. (2015). - Prepared a new categorie "ss" in the 3rd party database selection when creating a new project (selection 3rdparty/mines/ss). - New complete list of substances in the mines2018 database and corresonding references can be found in the database reference list file (mines2018_refs.xlsx). - Other minor fixes: -- DComp, Heulandite-Na formulae H2O from 5 to 6 consistent with -Ca endmember, and update dG and recalc dH consistend with S. -- DComp, Mordenite-Ca and -Na updated water to 3.5, updated dG and recalc dH consistent with S. -- Phase and DComp, updated ideal solid solution bug and formulae for Mordenite, Heulandite, Chabazite, and Topaz. -- Phases, added few ideal solid solutions inluding actinolite (ferroactinolite, tremolite), garnet (andradite, grossular), biotite (annite, phlogopite), celadonite (celadonite, Fe-celadonite), chlorite (amesite-Mg, chlorite-Mg, clinochlore, daphnite), talc (Fe-talc, talc), cpx (diopside, hedenbergite), olivine (forsterite, fayalite), epidote (epidote, Fe-epidote) -------------------------- MINES17 v.1 database (June 2017): - Complete mineral dataset from the Holland and Powell (1998) database (excluding Mn for now). - Addition of REE carbonate aqueous species from Haas et al. (1995). - Addition of tungsten (W). - Revision of Au chloride species (in the works soon coming). -------------------------- MINES16 database (Oct 2016): - Update in naming scheme for mineral groups (i.e., soro, phyllo, fra, neso, ...) - Addition of minerals relevant to basalt alteration: zeolites and phyllosilicates (ideal solid solutions) from the study of Gysi and Stefansson (2001), and few more more from H&P98. - Revision of SUPCRT92 (slop98.dat) aqueous species in the system K-Na-Si-Al-O-H-Cl using the data from the study of Miron et al. (2016); optimization using GEMSFITS to be internally consistent with mineral dataset of Holland and Powell (1998) and experimental solubility studies. Also available on the GEMS webpage (AqTDB16). Important updates of NaCl, NaOH, KCl, KOH properties. - Revision of Au chloride species (in the works soon coming). - Fix of gas standard thermodynamic properties using Frenkel et al. (1994) instead of Robie and Hemingway (1995), to better represent liquid-vapor partitioning for H2O and H2O-CO2 mixtures. -------------------------- The basis for this database is given in our modeling study for REE-Zr-enriched peralkaline granitic systems: - Gysi and Williams-Jones, GCA (2013) 122, 324-352. and the new data from our recent publications - Gysi, Pure and Applied Chemistry 89, 581-596. Please acknowledge the work done by citing these papers ;-) --------------------------- If you see mistakes or ways to improve the dataset, contact me at the e-mail address above; the goal is to evolve this dataset in the future! The dataset includes mineral data from the Holland and Powell (1998) and Robie and Hemingway (1995) datasets. Aqueous species are from the SUPCRT92 (slop98.dat) dataset and were updated using available experimental data: - Aqueous species: Al-, REE-, Sn-, Ti- and Zr-bearing aqueous species, HCl(aq). - Minerals: REE fluorides, REE phosphates and REE fluorocarbonates. For gases, a fluid phase was defined with the components: CO, CO2, CH4, HCl, HF, H2, O2, SO2, H2S, H2O. The model assumes the real gas model by Peng-Robinson-Styrjek-Vera (PRSV) and ideal mixing of these gas components. This fluid phase seems to work well for partitioning CO2-H2O mixtures between liquid-gas, but has not been tested for the other components. I suggest, for now, to only use trace amounts of the other components in the mixture and do careful testing to test the effects on more complicated systems. Near future plans include: addition of more mineral solid solution models; update for sulfides, carbonates and oxides; update of aqueous species for W, Pb, Zn, Cu, Au, Ag, and other important ore metals. -------------------------- References: Detailed references for the thermodynamic data can be found in the "database mode" in GEMS by selecting a record (e.g. DComp) from the Mines17 database and clicking on the corresponding reference (i.e., dSDref field) using the key combination Fn+F2.