JHenkel Posted March 27, 2020 Share Posted March 27, 2020 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! Quote Link to comment Share on other sites More sharing options...
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