PorousFlowBrineCO2.h

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//* This file is part of the MOOSE framework
//* https://mooseframework.inl.gov
//*
//* All rights reserved, see COPYRIGHT for full restrictions
//* https://github.com/idaholab/moose/blob/master/COPYRIGHT
//*
//* Licensed under LGPL 2.1, please see LICENSE for details
//* https://www.gnu.org/licenses/lgpl-2.1.html
 
#pragma once
 
#include "PorousFlowFluidStateMultiComponentBase.h"
 
class BrineFluidProperties;
class SinglePhaseFluidProperties;
class Water97FluidProperties;
 
class PorousFlowBrineCO2 : public PorousFlowFluidStateMultiComponentBase
{
public:
  static InputParameters validParams();
 
  PorousFlowBrineCO2(const InputParameters & parameters);
 
  virtual std::string fluidStateName() const override;
 
  void thermophysicalProperties(Real pressure,
                                Real temperature,
                                Real Xnacl,
                                Real Z,
                                unsigned int qp,
                                std::vector<FluidStateProperties> & fsp) const override;
 
  void thermophysicalProperties(const ADReal & pressure,
                                const ADReal & temperature,
                                const ADReal & Xnacl,
                                const ADReal & Z,
                                unsigned int qp,
                                std::vector<FluidStateProperties> & fsp) const override;
 
  void equilibriumMoleFractions(const ADReal & pressure,
                                const ADReal & temperature,
                                const ADReal & Xnacl,
                                ADReal & xco2,
                                ADReal & yh2o) const;
 
  void equilibriumMassFractions(const ADReal & pressure,
                                const ADReal & temperature,
                                const ADReal & Xnacl,
                                ADReal & Xco2,
                                ADReal & Yh2o) const;
 
  void massFractions(const ADReal & pressure,
                     const ADReal & temperature,
                     const ADReal & Xnacl,
                     const ADReal & Z,
                     FluidStatePhaseEnum & phase_state,
                     std::vector<FluidStateProperties> & fsp) const;
 
  void gasProperties(const ADReal & pressure,
                     const ADReal & temperature,
                     std::vector<FluidStateProperties> & fsp) const;
 
  void liquidProperties(const ADReal & pressure,
                        const ADReal & temperature,
                        const ADReal & Xnacl,
                        std::vector<FluidStateProperties> & fsp) const;
 
  ADReal saturation(const ADReal & pressure,
                    const ADReal & temperature,
                    const ADReal & Xnacl,
                    const ADReal & Z,
                    std::vector<FluidStateProperties> & fsp) const;
 
  void twoPhaseProperties(const ADReal & pressure,
                          const ADReal & temperature,
                          const ADReal & Xnacl,
                          const ADReal & Z,
                          unsigned int qp,
                          std::vector<FluidStateProperties> & fsp) const;
 
  void fugacityCoefficientsLowTemp(const ADReal & pressure,
                                   const ADReal & temperature,
                                   const ADReal & co2_density,
                                   ADReal & fco2,
                                   ADReal & fh2o) const;
 
 
  void fugacityCoefficientsHighTemp(const ADReal & pressure,
                                    const ADReal & temperature,
                                    const ADReal & co2_density,
                                    const ADReal & xco2,
                                    const ADReal & yh2o,
                                    ADReal & fco2,
                                    ADReal & fh2o) const;
 
  ADReal fugacityCoefficientH2OHighTemp(const ADReal & pressure,
                                        const ADReal & temperature,
                                        const ADReal & co2_density,
                                        const ADReal & xco2,
                                        const ADReal & yh2o) const;
 
  ADReal fugacityCoefficientCO2HighTemp(const ADReal & pressure,
                                        const ADReal & temperature,
                                        const ADReal & co2_density,
                                        const ADReal & xco2,
                                        const ADReal & yh2o) const;
 
  ADReal activityCoefficientH2O(const ADReal & temperature, const ADReal & xco2) const;
 
  ADReal activityCoefficientCO2(const ADReal & temperature, const ADReal & xco2) const;
 
  ADReal activityCoefficient(const ADReal & pressure,
                             const ADReal & temperature,
                             const ADReal & Xnacl) const;
 
  ADReal activityCoefficientHighTemp(const ADReal & temperature, const ADReal & Xnacl) const;
 
  ADReal equilibriumConstantH2O(const ADReal & temperature) const;
 
  ADReal equilibriumConstantCO2(const ADReal & temperature) const;
 
  ADReal partialDensityCO2(const ADReal & temperature) const;
 
  virtual Real totalMassFraction(
      Real pressure, Real temperature, Real Xnacl, Real saturation, unsigned int qp) const override;
 
  unsigned int saltComponentIndex() const { return _salt_component; };
 
  ADReal henryConstant(const ADReal & temperature, const ADReal & Xnacl) const;
 
  ADReal enthalpyOfDissolutionGas(const ADReal & temperature, const ADReal & Xnacl) const;
 
  ADReal enthalpyOfDissolution(const ADReal & temperature) const;
 
  void equilibriumMoleFractionsLowTemp(const ADReal & pressure,
                                       const ADReal & temperature,
                                       const ADReal & Xnacl,
                                       ADReal & xco2,
                                       ADReal & yh2o) const;
 
  void solveEquilibriumMoleFractionHighTemp(Real pressure,
                                            Real temperature,
                                            Real Xnacl,
                                            Real co2_density,
                                            Real & xco2,
                                            Real & yh2o) const;
 
protected:
  virtual void checkVariables(Real pressure, Real temperature) const;
 
  void smoothCubicInterpolation(
      Real temperature, Real f0, Real df0, Real f1, Real df1, Real & value, Real & deriv) const;
 
 
  void funcABHighTemp(Real pressure,
                      Real temperature,
                      Real Xnacl,
                      Real co2_density,
                      Real xco2,
                      Real yh2o,
                      Real & A,
                      Real & B) const;
 
  void funcABHighTemp(Real pressure,
                      Real temperature,
                      Real Xnacl,
                      Real co2_density,
                      Real xco2,
                      Real yh2o,
                      Real & A,
                      Real & dA_dp,
                      Real & dA_dT,
                      Real & B,
                      Real & dB_dp,
                      Real & dB_dT,
                      Real & dB_dX) const;
 
  void funcABLowTemp(const ADReal & pressure,
                     const ADReal & temperature,
                     const ADReal & co2_density,
                     ADReal & A,
                     ADReal & B) const;
 
  const unsigned int _salt_component;
  const BrineFluidProperties & _brine_fp;
  const SinglePhaseFluidProperties & _co2_fp;
  const Real _Mh2o;
  const Real _invMh2o;
  const Real _Mco2;
  const Real _Mnacl;
  const Real _Rbar;
  const Real _Tlower;
  const Real _Tupper;
  const Real _Zmin;
  const std::vector<Real> _co2_henry;
};