K2GWB: Utility for generating thermodynamic data files for The Geochemist's Workbench® at 0–1000°C and 1–5000bar from UT2K and the UNITHERM database

Gold mineralisations in the Canan area, Lepaguare District, east-central Honduras: Fluid inclusions and geochemical constraints on gold deposition

“…The activity of dissolved species for the Au-S-C-Cl-H 2 O system were calculated using The Geochemist's Workbench® 7 (GWB) software (Bethke and Yeakel, 2008) and data from the UNITHERM thermodynamic database, version 4.4 (Shvarov, 2008) extracted for temperature and pressure conditions estimated from fluid inclusions using the K2GWB software (Cleverley and Bastrakov, 2005).…”

Geochemical modelling of a Zn–Pb skarn: Constraints from LA–ICP–MS analysis of fluid inclusions

“…The rest of the mineral data as well as data for aqueous species were taken from a modified SUPCRT database (Pokrovskii et al, 1998). The file containing the thermodynamic data was then adapted to the GWB environment using utilities developed by Cleverley and Bastrakov (2005). Activity coefficients for aqueous species are calculated based on method described by Helgeson (1969).…”

Pore-water squeezing from indurated shales

“…Thermodynamic properties of minerals and aqueous species at different pressures were calculated with SUPCRT (Johnson et al, 1992), using the Slop98 database and were supplemented with the Unitherm database, which is consistent with SUPCRT (Cleverley and Bastrakov, 2005). Pressure-dependent solubilities were then calculated using PHREEQC.…”