I want to include organic matter in my equilibrium model in The Geochemist's Workbench (GWB). I switched from the default to the GWB thermo_minteq database, but the result spreadsheet doesn't show any Metal+DOM complexes, as it would be the case if I used Visual Minteq instead of GWB. What other organic compound(s) could I include in my initial substance list in GWB to simulate the presence of DOM?
In Visual MINTEQ, the user can select from two organic complexation models, NICA-Donnan and SHM, to calculate the extent of metal-DOM complexation. These models cannot be used in GWB, for the following reasons:
1. Correct usage of these models in GWB would require additional coding in the GWB source code itself, and as far as I am aware no efforts to add these models into the code have as yet been made
2. In addition, the thermo_minteq database in GWB does not contain the metal-DOM complexation reactions, which are stored in separate databases and not available in the GWB format. But even if those were available, you would still not be able to generate correct results, due to reason no. 1 above!
Thank you very much for clarification! I thought it might be possible to apply for instance the NICA-Donnan model by doing some calculations “on top” as GWB allows for addition of equations by the user.
So, for my understanding, the problem with GWB is how the software reaches the level where user entry is possible, correct?
