Frank Bok 0 Posted August 17, 2015 Hi, I plan to create a dataset for the calculation of Hydrogen solubility in water and brines at elevated temperature (0-100°C) and pressure (≤ 50 bar). So my question is: How is the pressure dependecy of gases implemented in GWB? I know that PHREEQC calculates the fugacity coefficient with the Peng-Robinson equation of state and I would like to know whether GWB uses the same model or another. And if there is a model for the pressure dependecy implemented, where can I enter the corresponding parameters for a new gas? Thanks in advance! Frank Share this post Link to post Share on other sites
Brian Farrell 10 Posted August 20, 2015 Hi Frank, Apologies for the delay. We've been really busy the past few days traveling, teaching a workshop, and exhibiting at the Goldschmidt conference in Prague. The datasets distributed with the GWB are compiled at 1 bar up to 100 C, and along the vapor pressure of water above that temperature. You can, of course, compile a thermo dataset at higher pressure if you have the data. As for gases, you set fugacity directly in the current GWB release. There is currently no fugacity coefficient model. Best, Brian Farrell Aqueous Solutions Share this post Link to post Share on other sites
Frank Bok 0 Posted August 21, 2015 Hi Brian, thank you for the answer. Are there future plans zu include a fugacity coefficient model? Best regards, Frank Share this post Link to post Share on other sites
Brian Farrell 10 Posted August 25, 2015 Hi Frank, Perhaps eventually, but not in the immediate future. Regards, Brian Share this post Link to post Share on other sites
