Hello,
I'm having difficulty with a simple mineral dissolution model and was hoping to get some advice. Attached is the REACT file. As you can see, I've set up a solution of essentially pure water (all concentrations of ions are very low) in which I'm trying to dissolve a few minerals, as entered under Reactants. The model runs fine when 'reactant times' is set to 0.015 or 0.008, but it crashes at 0.01. It says, Newton-Raphson didn't converge after 999 iterations, max residual = 0.706, Xi = 0.0000 -- Didn't wake up, abandoning path.
I'm trying to understand what the problem is and why the model works with sligthly larger and smaller mineral amounts but not with the amount that I need. Do you see any obvious problems?
As a second step, I would like to add gases to this model. Specifically CO2 with fugacity 0.1 and O2 with 0.9 (this is for a model of a hypothetical exoplanet ocean). However, it keeps generating this error: Residuals too large, 731-th interation, Largest residual(s):
Resid Resid/Totmol Cbasis
---------------------------------------------------------
Cl- 0.02433 1.279e+200 1.903e-202
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See second attached file. This fails even for the model where 'reactant times' is set to 0.008, which previously worked in the absence of gas.
Again, what is the problem here? Is it related to the previous issue?
Thanks for any advice!
Eva
Orthopyroxene.rea
Orthopyroxene_gas.rea