Simulated injection of FeCl3 into subsurface saline aquifers

[Sam OR]

Hi there,

not too long ago I posted a comment onto the forum requesting help regarding using the 'React' program to model the stability of various electrolytes when injected into certain formation waters over a range of pHs and Ehs. I was told that the program I was running would exceed the water-stability limits due to the wide range of pH and Eh values being utilised. As such, I decided to simplify the program by keeping a constant pH (representative of the formation water sample), and simply operating a scaling Eh value from -0.8 to 1 V to represent a change from reducing conditions to oxic.

The script works for some formation water samples but not others, I've attached two, one where it works and one where it does not which are labelled with the save files. Most of the issues are regarding the solution being too supersaturated, which is an issue considering these are the formation water samples I have so the program providing no answers limits my investigation.

The context is storage for usage in a redox flow battery so I am to test to stability of the reduced and oxidised form of the electrolyte (in this case iron chloride) across the range of Eh values if this helps.

Any changes you could recommend I put in place would to allow the script to run would be greatly appreciated, as i simplified the program assuming that would have resolved the errors which unfortunately hasn't been the case.
 

Thanks for the help!

Sam.FeCl3 simulated injection working example.reaFeCl3 simulated injection working example.rea

FeCl3 simulated injection not working example.rea

Edited April 3 by Sam OR
Correct Eh value range