How to model two successive speciations as reaction paths?

[PlanetMan]

Hi,

I'm hoping someone can help with a problem I'm working on. The idea is to model the speciation of a very deep ocean where the deep ocean composition is controlled by equilibrium with minerals, and then this fluid gets brought to the surface where it respeciates at a lower pressure. I have two custom databases, one each at the different pressures. The simple way to do this would be to calculate the speciation at high P, pickup the fluid composition, load the low P database, and then speciate again. However, this is manually taxing and not really amenable to another thing that I want to do - study how the pH of seafloor fluid ultimately affects the speciation at the top of this ocean.

In summary, I want to make a reaction path figure where the "x" variable is pH and the "y" are the concentrations of species at the top of the ocean. In essence, I think I need to perform a pH reaction path at high P (I already know how to do this in React), pick up or somehow store all those results (I don't know how to do this), and then load those compositions into SpecE8 or React for the final speciation at low P (I also don't know how to automate many input compositions - any guidance would be appreciated!).

Hope there is some way to automate this process in GWB. Thanks!

[Jia Wang]

Hello,

Thanks for posting the details to your problem. A couple of solutions come to mind. If you are interested in doing a bit of scripting, you can look into using the GWBplugin in automating the input and retrieval of results from React or SpecE8. You can refer to the chapter on Plugin Feature in the GWB Reference Manual for more details.

Another possible option is to use the GSS spreadsheet. From what you have described, it sounds like you can copy the fluid component composition results from the pH sliding path simulation and add them to GSS. You can set up the rows of analytes so that you can copy the concentration results from Gtplot and paste. In GSS, use the Launch feature to calculation speciation for each sample at different pH. Please refer to see the GSS chapter in the GWB Essentials Guide for more details.

Best regards,
Jia Wang
Aqueous Solutions LLC