Dear GWB community,
i am just getting started with GWB working in the field of geomicrobiology with a microbiology and marine biology background. I want to generate "fields" of gibbs free energy under varying boundary conditions for a specific redox reaction. This includes pH, Eh, temperature and different concentrations of chemical species and gases.
What i did so far:
I used SpecE8 to determine the chemical species in the aqueous solution. After that i used Rxn to define half-reactions for active redox species and calculated the gibbs free energy for each based on the activities calculated with SpecE8.
Now comes the tricky part. How can i perform a screening e.g. starting with changing environmental Eh?
In terms of screening pH and concentrations of chemical species, do i have to change them in SpecE8 first and redefine activities in Rxn afterwards? This would create a huge amount of work, especially if several other concentrations would need to be altered as well.
Thanks in advance!