diff --git a/dumux/porousmediumflow/mpnc/volumevariables.hh b/dumux/porousmediumflow/mpnc/volumevariables.hh index fe9891958a2dca6e8c2512040e5c4ab898a1e330..5d3a4e3459ea2da6780502013df397ef1e6b4acf 100644 --- a/dumux/porousmediumflow/mpnc/volumevariables.hh +++ b/dumux/porousmediumflow/mpnc/volumevariables.hh @@ -713,39 +713,39 @@ public: // // For using the ... other way of calculating equilibrium // THIS IS ONLY FOR silencing Valgrind but is not used in this model - for(int phaseIdx=0; phaseIdx<numPhases(); ++phaseIdx) - for (int compIdx = 0; compIdx < numFluidComps; ++compIdx) { - const Scalar phi = FluidSystem::fugacityCoefficient(actualFluidState, + for(int phaseIdx=0; phaseIdx<numPhases(); ++phaseIdx) + for (int compIdx = 0; compIdx < numFluidComps; ++compIdx) { + const Scalar phi = FluidSystem::fugacityCoefficient(actualFluidState, paramCache, phaseIdx, compIdx); - actualFluidState.setFugacityCoefficient(phaseIdx, + actualFluidState.setFugacityCoefficient(phaseIdx, compIdx, phi); } - FluidState equilFluidState; // the fluidState *on the interface* i.e. chemical equilibrium - equilFluidState.assign(actualFluidState) ; - ConstraintSolver::solve(equilFluidState, - paramCache, + FluidState equilFluidState; // the fluidState *on the interface* i.e. chemical equilibrium + equilFluidState.assign(actualFluidState) ; + ConstraintSolver::solve(equilFluidState, + paramCache) ; - // Setting the equilibrium composition (in a kinetic model not necessarily the same as the actual mole fraction) - for(int phaseIdx=0; phaseIdx<numPhases(); ++phaseIdx){ - for (int compIdx=0; compIdx< numFluidComps; ++ compIdx){ - xEquil_[phaseIdx][compIdx] = equilFluidState.moleFraction(phaseIdx, compIdx); - } - } - - // compute densities of all phases - for(int phaseIdx=0; phaseIdx<numPhases(); ++phaseIdx){ - const Scalar rho = FluidSystem::density(actualFluidState, paramCache, phaseIdx); - actualFluidState.setDensity(phaseIdx, rho); - const Scalar rhoMolar = FluidSystem::molarDensity(actualFluidState, paramCache, phaseIdx); - actualFluidState.setMolarDensity(phaseIdx, rhoMolar); + // Setting the equilibrium composition (in a kinetic model not necessarily the same as the actual mole fraction) + for(int phaseIdx=0; phaseIdx<numPhases(); ++phaseIdx){ + for (int compIdx=0; compIdx< numFluidComps; ++ compIdx){ + xEquil_[phaseIdx][compIdx] = equilFluidState.moleFraction(phaseIdx, compIdx); } + } + // compute densities of all phases + for(int phaseIdx=0; phaseIdx<numPhases(); ++phaseIdx){ + const Scalar rho = FluidSystem::density(actualFluidState, paramCache, phaseIdx); + actualFluidState.setDensity(phaseIdx, rho); + const Scalar rhoMolar = FluidSystem::molarDensity(actualFluidState, paramCache, phaseIdx); + actualFluidState.setMolarDensity(phaseIdx, rhoMolar); } + } + /*! * \brief The mole fraction we would have in the case of chemical equilibrium / * on the interface.