From 8541048f83f618df31181f4e5f48cf2af29b9bb3 Mon Sep 17 00:00:00 2001
From: Kai Bao <kai.bao@sintef.no>
Date: Thu, 24 Oct 2024 10:45:00 +0200
Subject: [PATCH] fixing the running of co2_ptflash_ecfv

---
 examples/problems/co2ptflashproblem.hh | 18 ++++++++++++++++++
 1 file changed, 18 insertions(+)

diff --git a/examples/problems/co2ptflashproblem.hh b/examples/problems/co2ptflashproblem.hh
index 318b772b2..15059b2b9 100644
--- a/examples/problems/co2ptflashproblem.hh
+++ b/examples/problems/co2ptflashproblem.hh
@@ -498,6 +498,24 @@ private:
             fs.setViscosity(FluidSystem::gasPhaseIdx, FluidSystem::viscosity(fs, paramCache, FluidSystem::gasPhaseIdx));
         }
 
+        // determine the component total fractions
+        // TODO: duplicated code here, while should be refactored out when we swithing
+        // to starting from total mole fractions
+        Dune::FieldVector<Scalar, numComponents> z(0.0);
+        Scalar sumMoles = 0.0;
+        for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
+            for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
+                Scalar tmp = Opm::getValue(fs.molarity(phaseIdx, compIdx) * fs.saturation(phaseIdx));
+                z[compIdx] += Opm::max(tmp, 1e-8);
+                sumMoles += tmp;
+            }
+        }
+        z /= sumMoles;
+
+        for (unsigned compIdx = 0; compIdx < numComponents - 1; ++compIdx) {
+            fs.setMoleFraction(compIdx, z[compIdx]);
+        }
+
         // Set initial K and L
         for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
             const Evaluation Ktmp = fs.wilsonK_(compIdx);