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

A comparative HCh and Geochemists Workbench model using the same thermodynamic dataset was run to benchmark test the validity of the new data files. Modelling the cooling of 2 molal NaCl-H2O fluid in equilibrium with a ganodiorite-type rock from 600 to 300 °C gave close to identical results between the two codes, validating the thermodynamic data conversion process described here. An investigation of the speciation of Au across a temperature-pressure gradient from 550 °C and 1500 bar to 150 °C and saturated vapor curve pressures has been used to illustrate the usefulness of coupling thermodynamic data file generation at wide temperatures and pressures from a central database and the functionality of The Geochemists Workbench.