Karthik Posted October 16, 2008 Share Posted October 16, 2008 Hi Can anyone help me out with this... I am thinking of buying GWB for our research group at the University of Michigan. However, I wanted to know about some features of GWB before doing so. 1. Can GWB calculate pE for a given solution composition. 2. Can we modify the thermodynamic database to include constants that we have experimentally determined. Thanks, Karthik Quote Link to comment Share on other sites More sharing options...
Tom Meuzelaar Posted October 16, 2008 Share Posted October 16, 2008 Hi Karthik: 1. Can GWB calculate pE for a given solution composition. Sure - you can model both redox equilibrium and disequilibrium using the GWB. For aqueous systems in redox disequilibrium, GWB calculates a "master" or system Eh/pe through the dominant redox species, Oxygen. However, if any given redox couple is not in equilibrium, they can be decoupled and GWB will calculate the Eh/pe for that couple independently from system Eh/pe. 2. Can we modify the thermodynamic database to include constants that we have experimentally determined. All databases provided with the GWB software are formatted in simpled ASCII and can be easily modified using your favorite text editor. Best regards, Tom Meuzelaar RockWare, Inc. Quote Link to comment Share on other sites More sharing options...
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