Calculation of pe for a solution composition

[Karthik]

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

[Tom Meuzelaar]

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.