PorousFlowMassFractionAqueousEquilibriumChemistry.C File Reference

Go to the source code of this file.

Functions
	registerMooseObject ("PorousFlowApp", PorousFlowMassFractionAqueousEquilibriumChemistry)
template<>
InputParameters	validParams< PorousFlowMassFractionAqueousEquilibriumChemistry > ()

Function Documentation

registerMooseObject()

registerMooseObject	(	"PorousFlowApp"	,
		PorousFlowMassFractionAqueousEquilibriumChemistry
	)

validParams< PorousFlowMassFractionAqueousEquilibriumChemistry >()

template<>

InputParameters validParams< PorousFlowMassFractionAqueousEquilibriumChemistry >

(

)

Definition at line 16 of file PorousFlowMassFractionAqueousEquilibriumChemistry.C.

{
  InputParameters params = validParams<PorousFlowMaterialVectorBase>();
  params.addRequiredCoupledVar(
      "mass_fraction_vars",
      "List of variables that represent the mass fractions.  For the aqueous phase these are "
      "concentrations of the primary species with units m^{3}(chemical)/m^{3}(fluid phase).  For "
      "the other phases (if any) these will typically be initialised to zero and will not change "
      "throughout the simulation.  Format is 'f_ph0^c0 f_ph0^c1 f_ph0^c2 ... f_ph0^c(N-1) f_ph1^c0 "
      "f_ph1^c1 fph1^c2 ... fph1^c(N-1) ... fphP^c0 f_phP^c1 fphP^c2 ... fphP^c(N-1)' where "
      "N=number of primary species and P=num_phases, and it is assumed that "
      "f_ph^cN=1-sum(f_ph^c,{c,0,N-1}) so that f_ph^cN need not be given.");
  params.addRequiredParam<unsigned>("num_reactions",
                                    "Number of equations in the system of chemical reactions");
  params.addParam<bool>("equilibrium_constants_as_log10",
                        false,
                        "If true, the equilibrium constants are written in their log10 form, eg, "
                        "-2.  If false, the equilibrium constants are written in absolute terms, "
                        "eg, 0.01");
  params.addRequiredCoupledVar("equilibrium_constants",
                               "Equilibrium constant for each equation (dimensionless).  If these "
                               "are temperature dependent AuxVariables, the Jacobian will not be "
                               "exact");
  params.addRequiredParam<std::vector<Real>>(
      "primary_activity_coefficients",
      "Activity coefficients for the primary species (dimensionless) (one for each)");
  params.addRequiredParam<std::vector<Real>>(
      "reactions",
      "A matrix defining the aqueous reactions.  The matrix is entered as a long vector: the first "
      "row is "
      "entered first, followed by the second row, etc.  There should be num_reactions rows.  All "
      "primary species should appear only on the LHS of each reaction (and there should be just "
      "one secondary species on the RHS, by definition) so they may have negative coefficients.  "
      "Each row should have number of primary_concentrations entries, which are the stoichiometric "
      "coefficients.  The first coefficient must always correspond to the first primary species, "
      "etc");
  params.addRequiredParam<std::vector<Real>>(
      "secondary_activity_coefficients",
      "Activity coefficients for the secondary species (dimensionless) (one for each reaction)");
  params.addPrivateParam<std::string>("pf_material_type", "mass_fraction");
  params.addClassDescription(
      "This Material forms a std::vector<std::vector ...> of mass-fractions "
      "(total concentrations of primary species (m^{3}(primary species)/m^{3}(solution)) and since "
      "this is for an aqueous system only, mass-fraction equals volume-fraction) corresponding to "
      "an "
      "aqueous equilibrium chemistry system.  The first mass fraction is the "
      "concentration of the first primary species, etc, and the last mass "
      "fraction is the concentration of H2O.");
  return params;
}