ntucci
-
Posts
2 -
Joined
-
Last visited
Posts posted by ntucci
-
-
Having max residual issues with O2 (aq) and need some advice troublshooting this issue to get the model to converge. I am trying to run a surface complexation 1D model in X1t trying to model HVO4-- sorption onto ferrihydrite, and I cannot get the model to converge. I am having to suppress almost all minerals because I have an oversaturation issue if I do not. My current issue is that oxygen is my largest reidual but I am also getting chloride as well. I have attached the input and output files for you review.
Hoping you can have a look, see what I am suppressing, and give me tips to get past this issue.
Thanks,
Convergence error: Newton-Raphason 999 iterations, max residual is O2
in The Geochemist's Workbench
Posted
Thank you Jia, this is incredibly helpful. I have been working through several issues using this simpler approach. I switched over to React some of the issues I am having. I reacted my initial solution with reactants from the source and I am having an issue I do am trying to diagnose. I am having charge balancing issues so I am using chloride for the make-up ion. When I run the reaction using 5 percent Ferrihydrite (swapped in for Fe+++ in the basis pane), the reaction seems to run just fine (see attached output file). When I run the reaction with greater than 5 percent ferrihydrite (see .rea file), I am getting a convergence error, with chloride being the residual. Not sure why adding more Ferrihydrite give me a convergence error, but I am thinking this is a real problem for me in the X1t model I am running. The aquifer has 10-15 percent ferrihydrite so I am trying to simulate this and cannot seem to. Do you have any suggestions? Overall, charge balance and residuals have been a real issue for me and so I am hoping you can help me troubleshoot?
React_output_sx w initial_0.05ferri.txt 10 percent ferrihydrite failure.rea