yzdm Posted August 21, 2017 Share Posted August 21, 2017 Hi everyone, After learning the tutorial about “Editing thermo”, i noticed that the range of temperature and pressure are limited. I do know how to modify the logK vaules using SUPCRT92, but i am not sure how to change the parameters of Deby-Huckel parameters/CO2activity coefficient terms and water activity coefficient terms, especially the CO2 1,2,3,4s and H2O 1,2,3,4s. Where can i find those parameters or is there a software can generate them? Quote Link to comment Share on other sites More sharing options...
Guest Melika Sharifi Posted August 24, 2017 Share Posted August 24, 2017 Dear Yzdm, I am not sure whether the change of activity coefficients of water and CO2 and Debye-Huckel parameters with pressure and temperature are considered in anyway in programs making GWB-formatted datasets at arbitrary temperatures and pressures. I would suggest that you check the DBCreate and K2GWB programs to see if they are considering the effect of pressure and temperature on the activity coefficients and Debye-Huckel parameters in producing GWB-formatted thermo datasets. If not, you may check these two papers and see if they have the information you are looking for: 1- Helgeson, H.C., 1969, Thermodynamics of hydrothermal systems at elevated temperatures and pressures. American Journal of Science 267, 853-877 2- Helgeson, H.C. and D.H. Kirkham, 1974, Theoretical prediction of the thermodynamic behavior of aqueous electrolytes at high pressures, and temperatures, II. Debye-Huckel parameters for activity coefficients and relative partial molal properties. American Journal of Science 274, 1199-1261 Also, I think you will find section 8.1.2 of Craig Bethke's Geochemical and Biogeochemical Reaction Modeling text on B-dot model helpful. Hope this helps. Bests, Melika Sharifi Aqueous Solutions LLC Quote Link to comment Share on other sites More sharing options...
yzdm Posted August 28, 2017 Author Share Posted August 28, 2017 Got it, thank you for you advices Quote Link to comment Share on other sites More sharing options...
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