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Speciation with brine using Pitzer

I am trying to run a simple speciation problem with a brine composition in contact with some minerals (like Albite, Barite, Illite, K-feldspar etc.). The idea is to use the results of the speciation for initial condition of another model where it mixes with another water.

The output results doesn't seem right. for example it returns  -Inf for pH or NaN for almost all concentrations in the second timestep printout in chdump.out. I wonder if the problem is in initial guess or some other parameters that I am missing. I have attached the input files and Pitzer database that I am using.

Your help is greatly appreciated.

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  • 3 mths agoLast active
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