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Fix CO2 hydrate tutorial for 10 wt% KCl and finite CO2 inventory - #188
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EvenSol
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October 5, 2026 15:16
This was referenced Oct 4, 2026
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The hydrate tutorial pins a September Java snapshot that does not return within 90 s for 11.3 bara, 10 wt% KCl and 2.805906013 mol CO2/kg water. Refresh the source pin to the inspected NeqSim master snapshot containing the existing CO2/brine phase-selection and inventory repairs.
The reported case now converges to -2.545659 °C, with GAS+AQUEOUS, conserved original feed and saturated-boundary evidence. Add the exact reproducer plus 16 pressure/inventory controls, a fresh-fluid hydt comparison, solver convergence and original-feed diagnostics. Retest the formerly rejected high-pressure and calcium controls and retain all freshly executed outputs. Diagnostic tables show full labels and small residuals.
At 9, 11.3 and 15 bara, 2.805906013 and 10 mol CO2 both have a free CO2-rich phase and differ by at most 8.20e-5 K. At 20 bara, the smaller inventory is single aqueous in this model and is kept separate from the saturated boundary.
hydtreturns kelvin; Python bridge 3.20.0 defaults to structure I and the integer overload, whose starting policy differs from the no-argument call.Validation:
f59810115c07d9a3ef479e55be45a5972963231d, clean source-built 3.23.0 JAR; class origin and SHA-256 asserted. Python bridge 3.20.0, Java 17.0.20, Python 3.12.14.Documentation impact: source/restart instructions, KCl pressure/inventory explanation, hydt units/overloads, historical repaired controls, CSV export, catalog entry and maintenance ledger updated. Java implementation and model parameters are unchanged. Existing equinor/neqsim#3584 and equinor/neqsim#3585 track the library repairs; no duplicate defect filed.
Open the corrected branch in Colab