- PorousFlowDictatorThe UserObject that holds the list of PorousFlow variable names.
C++ Type:UserObjectName
Controllable:No
Description:The UserObject that holds the list of PorousFlow variable names.
- mineral_densityDensity (kg(precipitate)/m^3(precipitate)) of each secondary species in the aqueous precipitation-dissolution reaction system
C++ Type:std::vector<double>
Controllable:No
Description:Density (kg(precipitate)/m^3(precipitate)) of each secondary species in the aqueous precipitation-dissolution reaction system
- stoichiometryA vector of stoichiometric coefficients for the primary species that is the Variable of this Kernel: one for each precipitation-dissolution reaction (these are one columns of the 'reactions' matrix)
C++ Type:std::vector<double>
Controllable:No
Description:A vector of stoichiometric coefficients for the primary species that is the Variable of this Kernel: one for each precipitation-dissolution reaction (these are one columns of the 'reactions' matrix)
- variableThe name of the variable that this residual object operates on
C++ Type:NonlinearVariableName
Controllable:No
Description:The name of the variable that this residual object operates on
PorousFlow PreDis
Precipitation-dissolution of chemical species
This Kernel
implements the residual In this equation, is the porosity (only the old value is used), is the aqueous saturation, the sum over is a sum over all the precipitated-or-dissolved (PreDis
) mineral species, are stoichiometric coefficients, is the density of a solid lump of the mineral, and is the mineral reaction rate (m(precipitate)/m(solution).s) which is computed by PorousFlowAqueousPreDisChemistry.
Details concerning precipitation-dissolution kinetic chemistry may be found in the chemical reactions
module.
The numerical implementation of the chemical-reactions part of PorousFlow
is quite simplistic, with very few guards against strange numerical behavior that might arise during the non-linear iterative process that MOOSE uses to find the solution. Therefore, care must be taken to define your chemical reactions so that the primary species concentrations remain small, but nonzero, and that mineralisation does not cause porosity to become negative or exceed unity.
This Kernel
is usually added to a PorousFlowMassTimeDerivative Kernel
to simulate precipitation-dissolution of a mineral from some primary chemical species. For instance in the case of just one precipitation-dissolution kinetic reaction and including diffusion and dispersion, the Kernels
block looks like
[mass_a]
type = PorousFlowMassTimeDerivative
fluid_component = 0
variable = a
[]
[diff_a]
type = PorousFlowDispersiveFlux
variable = a
fluid_component = 0
disp_trans = 0
disp_long = 0
[]
[predis_a]
type = PorousFlowPreDis
variable = a
mineral_density = 1000
stoichiometry = 1
[]
[mass_b]
type = PorousFlowMassTimeDerivative
fluid_component = 1
variable = b
[]
[diff_b]
type = PorousFlowDispersiveFlux
variable = b
fluid_component = 1
disp_trans = 0
disp_long = 0
[]
[predis_b]
type = PorousFlowPreDis
variable = b
mineral_density = 1000
stoichiometry = 1
[]
[]
(modules/porous_flow/test/tests/chemistry/2species_predis.i)Appropriate stoichiometric coefficients must be supplied to this Kernel
. Consider the reaction system
Then the stoichiometric coefficients for the PorousFlowPreDis
Kernels would be:
- stoichiometry = '1 4'
for Variable a
- stoichiometry = '2 -5'
for Variable b
- stoichiometry = '-3 6'
for Variable c
This Kernel
lumps the mineral masses to the nodes. It also only uses the old values of porosity, which is an approximation: see porosity for a discussion.
See mass lumping for details.
Input Parameters
- blockThe list of blocks (ids or names) that this object will be applied
C++ Type:std::vector<SubdomainName>
Controllable:No
Description:The list of blocks (ids or names) that this object will be applied
- displacementsThe displacements
C++ Type:std::vector<VariableName>
Controllable:No
Description:The displacements
- prop_getter_suffixAn optional suffix parameter that can be appended to any attempt to retrieve/get material properties. The suffix will be prepended with a '_' character.
C++ Type:MaterialPropertyName
Controllable:No
Description:An optional suffix parameter that can be appended to any attempt to retrieve/get material properties. The suffix will be prepended with a '_' character.
- use_interpolated_stateFalseFor the old and older state use projected material properties interpolated at the quadrature points. To set up projection use the ProjectedStatefulMaterialStorageAction.
Default:False
C++ Type:bool
Controllable:No
Description:For the old and older state use projected material properties interpolated at the quadrature points. To set up projection use the ProjectedStatefulMaterialStorageAction.
Optional Parameters
- absolute_value_vector_tagsThe tags for the vectors this residual object should fill with the absolute value of the residual contribution
C++ Type:std::vector<TagName>
Controllable:No
Description:The tags for the vectors this residual object should fill with the absolute value of the residual contribution
- extra_matrix_tagsThe extra tags for the matrices this Kernel should fill
C++ Type:std::vector<TagName>
Controllable:No
Description:The extra tags for the matrices this Kernel should fill
- extra_vector_tagsThe extra tags for the vectors this Kernel should fill
C++ Type:std::vector<TagName>
Controllable:No
Description:The extra tags for the vectors this Kernel should fill
- matrix_tagssystem timeThe tag for the matrices this Kernel should fill
Default:system time
C++ Type:MultiMooseEnum
Options:nontime, system, time
Controllable:No
Description:The tag for the matrices this Kernel should fill
- vector_tagstimeThe tag for the vectors this Kernel should fill
Default:time
C++ Type:MultiMooseEnum
Options:nontime, time
Controllable:No
Description:The tag for the vectors this Kernel should fill
Tagging Parameters
- control_tagsAdds user-defined labels for accessing object parameters via control logic.
C++ Type:std::vector<std::string>
Controllable:No
Description:Adds user-defined labels for accessing object parameters via control logic.
- diag_save_inThe name of auxiliary variables to save this Kernel's diagonal Jacobian contributions to. Everything about that variable must match everything about this variable (the type, what blocks it's on, etc.)
C++ Type:std::vector<AuxVariableName>
Controllable:No
Description:The name of auxiliary variables to save this Kernel's diagonal Jacobian contributions to. Everything about that variable must match everything about this variable (the type, what blocks it's on, etc.)
- enableTrueSet the enabled status of the MooseObject.
Default:True
C++ Type:bool
Controllable:Yes
Description:Set the enabled status of the MooseObject.
- implicitTrueDetermines whether this object is calculated using an implicit or explicit form
Default:True
C++ Type:bool
Controllable:No
Description:Determines whether this object is calculated using an implicit or explicit form
- save_inThe name of auxiliary variables to save this Kernel's residual contributions to. Everything about that variable must match everything about this variable (the type, what blocks it's on, etc.)
C++ Type:std::vector<AuxVariableName>
Controllable:No
Description:The name of auxiliary variables to save this Kernel's residual contributions to. Everything about that variable must match everything about this variable (the type, what blocks it's on, etc.)
- seed0The seed for the master random number generator
Default:0
C++ Type:unsigned int
Controllable:No
Description:The seed for the master random number generator
- use_displaced_meshFalseWhether or not this object should use the displaced mesh for computation. Note that in the case this is true but no displacements are provided in the Mesh block the undisplaced mesh will still be used.
Default:False
C++ Type:bool
Controllable:No
Description:Whether or not this object should use the displaced mesh for computation. Note that in the case this is true but no displacements are provided in the Mesh block the undisplaced mesh will still be used.
Advanced Parameters
Input Files
- (modules/porous_flow/test/tests/jacobian/chem12.i)
- (modules/porous_flow/test/tests/jacobian/chem10.i)
- (modules/porous_flow/test/tests/chemistry/precipitation_2phase.i)
- (modules/porous_flow/test/tests/jacobian/chem04.i)
- (modules/porous_flow/test/tests/jacobian/chem06.i)
- (modules/porous_flow/test/tests/jacobian/chem05.i)
- (modules/porous_flow/examples/tutorial/07.i)
- (modules/porous_flow/test/tests/chemistry/dissolution_limited_2phase.i)
- (modules/porous_flow/test/tests/chemistry/except15.i)
- (modules/porous_flow/test/tests/jacobian/chem03.i)
- (modules/porous_flow/test/tests/jacobian/chem08.i)
- (modules/porous_flow/test/tests/jacobian/chem11.i)
- (modules/porous_flow/test/tests/chemistry/precipitation.i)
- (modules/porous_flow/test/tests/chemistry/dissolution.i)
- (modules/porous_flow/test/tests/chemistry/except16.i)
- (modules/porous_flow/test/tests/jacobian/chem02.i)
- (modules/porous_flow/test/tests/jacobian/chem13.i)
- (modules/porous_flow/test/tests/jacobian/chem07.i)
- (modules/porous_flow/test/tests/chemistry/dissolution_limited.i)
- (modules/porous_flow/test/tests/jacobian/chem09.i)
- (modules/porous_flow/examples/tutorial/13.i)
- (modules/porous_flow/test/tests/chemistry/2species_predis.i)
- (modules/porous_flow/test/tests/jacobian/chem01.i)
(modules/porous_flow/test/tests/chemistry/2species_predis.i)
# PorousFlow analogy of chemical_reactions/test/tests/solid_kinetics/2species_without_action.i
#
# Simple equilibrium reaction example to illustrate the use of PorousFlowAqueousPreDisChemistry
#
# In this example, two primary species a and b diffuse towards each other from
# opposite ends of a porous medium, reacting when they meet to form a mineral
# precipitate. The kinetic reaction is
#
# a + b = mineral
#
# where a and b are the primary species (reactants), and mineral is the precipitate.
# At the time of writing, the results of this test differ from chemical_reactions because
# in PorousFlow the mineral_concentration is measured in m^3 (precipitate) / m^3 (porous_material)
# in chemical_reactions the mineral_concentration is measured in m^3 (precipitate) / m^3 (fluid)
# ie, PorousFlow_mineral_concentration = porosity * chemical_reactions_mineral_concentration
[Mesh]
type = GeneratedMesh
dim = 2
xmax = 1
ymax = 1
nx = 40
[]
[Variables]
[a]
order = FIRST
family = LAGRANGE
initial_condition = 0
[]
[b]
order = FIRST
family = LAGRANGE
initial_condition = 0
[]
[]
[AuxVariables]
[eqm_k]
initial_condition = 1E-6
[]
[pressure]
[]
[mineral]
family = MONOMIAL
order = CONSTANT
[]
[]
[AuxKernels]
[mineral]
type = PorousFlowPropertyAux
property = mineral_concentration
mineral_species = 0
variable = mineral
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
gravity = '0 0 0'
[]
[Kernels]
[mass_a]
type = PorousFlowMassTimeDerivative
fluid_component = 0
variable = a
[]
[diff_a]
type = PorousFlowDispersiveFlux
variable = a
fluid_component = 0
disp_trans = 0
disp_long = 0
[]
[predis_a]
type = PorousFlowPreDis
variable = a
mineral_density = 1000
stoichiometry = 1
[]
[mass_b]
type = PorousFlowMassTimeDerivative
fluid_component = 1
variable = b
[]
[diff_b]
type = PorousFlowDispersiveFlux
variable = b
fluid_component = 1
disp_trans = 0
disp_long = 0
[]
[predis_b]
type = PorousFlowPreDis
variable = b
mineral_density = 1000
stoichiometry = 1
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'a b'
number_fluid_phases = 1
number_fluid_components = 3
number_aqueous_kinetic = 1
[]
[]
[FluidProperties]
[simple_fluid]
type = SimpleFluidProperties
bulk_modulus = 2e9 # huge, so mimic chemical_reactions
density0 = 1000
thermal_expansion = 0
viscosity = 1e-3
[]
[]
[Materials]
[temperature]
type = PorousFlowTemperature
temperature = 298.15
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[massfrac]
type = PorousFlowMassFraction
mass_fraction_vars = 'a b'
[]
[chem]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = 'a b'
num_reactions = 1
equilibrium_constants = eqm_k
primary_activity_coefficients = '1 1'
reactions = '1 1'
specific_reactive_surface_area = '1.0'
kinetic_rate_constant = '1.0e-8'
activation_energy = '1.5e4'
molar_volume = 1
gas_constant = 8.314
reference_temperature = 298.15
[]
[mineral_conc]
type = PorousFlowAqueousPreDisMineral
[]
[simple_fluid]
type = PorousFlowSingleComponentFluid
fp = simple_fluid
phase = 0
[]
[porosity]
type = PorousFlowPorosityConst
porosity = 0.4
[]
[permeability]
type = PorousFlowPermeabilityConst
# porous_flow permeability / porous_flow viscosity = chemical_reactions conductivity = 4E-3
permeability = '4E-6 0 0 0 4E-6 0 0 0 4E-6'
[]
[relp]
type = PorousFlowRelativePermeabilityConst
phase = 0
[]
[diff]
type = PorousFlowDiffusivityConst
# porous_flow diffusion_coeff * tortuousity * porosity = chemical_reactions diffusivity = 5E-4
diffusion_coeff = '12.5E-4 12.5E-4 12.5E-4'
tortuosity = 1.0
[]
[]
[BCs]
[a_left]
type = DirichletBC
variable = a
boundary = left
value = 1.0e-2
[]
[a_right]
type = DirichletBC
variable = a
boundary = right
value = 0
[]
[b_left]
type = DirichletBC
variable = b
boundary = left
value = 0
[]
[b_right]
type = DirichletBC
variable = b
boundary = right
value = 1.0e-2
[]
[]
[Preconditioning]
[smp]
type = SMP
full = true
[]
[]
[Executioner]
type = Transient
solve_type = Newton
dt = 5
end_time = 50
[]
[Outputs]
print_linear_residuals = true
exodus = true
perf_graph = true
hide = eqm_k
[]
(modules/porous_flow/test/tests/jacobian/chem12.i)
# PorousFlowPreDis, which is essentially checking the derivatives of the secondary concentrations in PorousFlowMassFractionAqueousPreDisChemistry
# Dissolution with temperature, with three primary variables and four reactions
[Mesh]
type = GeneratedMesh
dim = 1
[]
[Variables]
[a]
initial_condition = 0.05
[]
[b]
initial_condition = 0.1
[]
[c]
initial_condition = 0.15
[]
[temp]
initial_condition = 0.5
[]
[]
[AuxVariables]
[eqm_k0]
initial_condition = 1.234
[]
[eqm_k1]
initial_condition = 1.999
[]
[eqm_k2]
initial_condition = 0.789
[]
[eqm_k3]
initial_condition = 1.111
[]
[ini_sec_conc0]
initial_condition = 0.02
[]
[ini_sec_conc1]
initial_condition = 0.04
[]
[ini_sec_conc2]
initial_condition = 0.06
[]
[ini_sec_conc3]
initial_condition = 0.08
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
[]
[Kernels]
[a]
type = PorousFlowPreDis
variable = a
mineral_density = '1E10 2E10 3E10 4E10'
stoichiometry = '1 1 2 0'
[]
[b]
type = PorousFlowPreDis
variable = b
mineral_density = '1.1E10 2.2E10 3.3E10 4.4E10'
stoichiometry = '2 -2 0 0.5'
[]
[c]
type = PorousFlowPreDis
variable = c
mineral_density = '0.1E10 0.2E10 0.3E10 0.4E10'
stoichiometry = '3 -3 0 1'
[]
[temp]
type = Diffusion
variable = temp
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'a b c temp'
number_fluid_phases = 1
number_fluid_components = 4
number_aqueous_kinetic = 4
[]
[]
[AuxVariables]
[pressure]
[]
[]
[Materials]
[porosity]
type = PorousFlowPorosity
porosity_zero = 0.9
[]
[temperature]
type = PorousFlowTemperature
temperature = temp
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[massfrac]
type = PorousFlowMassFraction
mass_fraction_vars = 'a b c'
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = 'a b c'
num_reactions = 4
equilibrium_constants = 'eqm_k0 eqm_k1 eqm_k2 eqm_k3'
primary_activity_coefficients = '0.5 0.8 0.9'
reactions = '1 2 3
1 -2 -3
2 0 0
0 0.5 1'
specific_reactive_surface_area = '-44.4E-2 22.1E-2 32.1E-1 -50E-2'
kinetic_rate_constant = '0.678 0.999 1.23 0.3'
activation_energy = '4.4 3.3 4.5 4.0'
molar_volume = '3.3 4.4 5.5 6.6'
reference_temperature = 1
gas_constant = 7.4
theta_exponent = '1.0 1.1 1.2 0.9'
eta_exponent = '1.2 1.01 1.1 1.2'
[]
[mineral]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = 'ini_sec_conc0 ini_sec_conc1 ini_sec_conc2 ini_sec_conc3'
[]
[]
[Executioner]
type = Transient
solve_type = Newton
dt = 0.1
end_time = 0.1
[]
[Preconditioning]
[check]
type = SMP
full = true
petsc_options = '-snes_test_display'
petsc_options_iname = '-ksp_type -pc_type -snes_atol -snes_rtol -snes_max_it -snes_type'
petsc_options_value = 'bcgs bjacobi 1E-15 1E-10 10000 test'
[]
[]
(modules/porous_flow/test/tests/jacobian/chem10.i)
# PorousFlowPreDis, which is essentially checking the derivatives of the secondary concentrations in PorousFlowMassFractionAqueousPreDisChemistry
# Dissolution with temperature, with two primary variables = 0
[Mesh]
type = GeneratedMesh
dim = 1
[]
[Variables]
[a]
initial_condition = 0.0
[]
[b]
initial_condition = 0.0
[]
[temp]
initial_condition = 0.5
[]
[]
[AuxVariables]
[eqm_k]
initial_condition = 1.234
[]
[ini_sec_conc]
initial_condition = 0.222
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
[]
[Kernels]
[a]
type = PorousFlowPreDis
variable = a
mineral_density = 1E5
stoichiometry = 2
[]
[b]
type = PorousFlowPreDis
variable = b
mineral_density = 2.2E5
stoichiometry = 3
[]
[temp]
type = Diffusion
variable = temp
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'a b temp'
number_fluid_phases = 1
number_fluid_components = 3
number_aqueous_kinetic = 1
[]
[]
[AuxVariables]
[pressure]
[]
[]
[Materials]
[porosity]
type = PorousFlowPorosity
porosity_zero = 0.9
[]
[temperature]
type = PorousFlowTemperature
temperature = temp
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[massfrac]
type = PorousFlowMassFraction
mass_fraction_vars = 'a b'
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = 'a b'
num_reactions = 1
equilibrium_constants = eqm_k
primary_activity_coefficients = '0.5 0.8'
reactions = '1 3'
specific_reactive_surface_area = -44.4E-2
kinetic_rate_constant = 0.678
activation_energy = 4.4
molar_volume = 3.3
reference_temperature = 1
gas_constant = 7.4
theta_exponent = 1.0
eta_exponent = 1.2
[]
[mineral]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = ini_sec_conc
[]
[]
[Executioner]
type = Transient
solve_type = Newton
dt = 0.1
end_time = 0.1
[]
[Preconditioning]
[check]
type = SMP
full = true
petsc_options = '-snes_test_display'
petsc_options_iname = '-ksp_type -pc_type -snes_atol -snes_rtol -snes_max_it -snes_type'
petsc_options_value = 'bcgs bjacobi 1E-15 1E-10 10000 test'
[]
[]
(modules/porous_flow/test/tests/chemistry/precipitation_2phase.i)
# Using a two-phase system (see precipitation.i for the single-phase)
# The saturation and porosity are chosen so that the results are identical to precipitation.i
#
# The precipitation reaction
#
# a <==> mineral
#
# produces "mineral". Using mineral_density = fluid_density, theta = 1 = eta, the DE is
#
# a' = -(mineral / (porosity * saturation))' = rate * surf_area * molar_vol (1 - (1 / eqm_const) * (act_coeff * a)^stoi)
#
# The following parameters are used
#
# T_ref = 0.5 K
# T = 1 K
# activation_energy = 3 J/mol
# gas_constant = 6 J/(mol K)
# kinetic_rate_at_ref_T = 0.60653 mol/(m^2 s)
# These give rate = 0.60653 * exp(1/2) = 1 mol/(m^2 s)
#
# surf_area = 0.5 m^2/L
# molar_volume = 2 L/mol
# These give rate * surf_area * molar_vol = 1 s^-1
#
# equilibrium_constant = 0.5 (dimensionless)
# primary_activity_coefficient = 2 (dimensionless)
# stoichiometry = 1 (dimensionless)
# This means that 1 - (1 / eqm_const) * (act_coeff * a)^stoi = 1 - 4 a, which is negative for a > 0.25, ie precipitation for a(t=0) > 0.25
#
# The solution of the DE is
# a = eqm_const / act_coeff + (a(t=0) - eqm_const / act_coeff) exp(-rate * surf_area * molar_vol * act_coeff * t / eqm_const)
# = 0.25 + (a(t=0) - 0.25) exp(-4 * t)
# c = c(t=0) - (a - a(t=0)) * (porosity * saturation)
#
# This test checks that (a + c / (porosity * saturation)) is time-independent, and that a follows the above solution
#
# Aside:
# The exponential curve is not followed exactly because moose actually solves
# (a - a_old)/dt = rate * surf_area * molar_vol (1 - (1 / eqm_const) * (act_coeff * a)^stoi)
# which does not give an exponential exactly, except in the limit dt->0
[Mesh]
type = GeneratedMesh
dim = 1
[]
[Variables]
[a]
initial_condition = 0.9
[]
[]
[AuxVariables]
[eqm_k]
initial_condition = 0.5
[]
[pressure0]
[]
[saturation1]
initial_condition = 0.25
[]
[b]
initial_condition = 0.123
[]
[ini_mineral_conc]
initial_condition = 0.2
[]
[mineral]
family = MONOMIAL
order = CONSTANT
[]
[should_be_static]
family = MONOMIAL
order = CONSTANT
[]
[]
[AuxKernels]
[mineral]
type = PorousFlowPropertyAux
property = mineral_concentration
mineral_species = 0
variable = mineral
[]
[should_be_static]
type = ParsedAux
coupled_variables = 'mineral a'
expression = 'a + mineral / 0.1'
variable = should_be_static
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
[]
[Kernels]
[mass_a]
type = PorousFlowMassTimeDerivative
fluid_component = 0
variable = a
[]
[pre_dis]
type = PorousFlowPreDis
variable = a
mineral_density = 1000
stoichiometry = 1
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = a
number_fluid_phases = 2
number_fluid_components = 2
number_aqueous_kinetic = 1
aqueous_phase_number = 1
[]
[pc]
type = PorousFlowCapillaryPressureConst
[]
[]
[FluidProperties]
[simple_fluid]
type = SimpleFluidProperties
bulk_modulus = 2e9 # huge, so mimic chemical_reactions
density0 = 1000
thermal_expansion = 0
viscosity = 1e-3
[]
[]
[Materials]
[temperature]
type = PorousFlowTemperature
temperature = 1
[]
[ppss]
type = PorousFlow2PhasePS
capillary_pressure = pc
phase0_porepressure = pressure0
phase1_saturation = saturation1
[]
[mass_frac]
type = PorousFlowMassFraction
mass_fraction_vars = 'b a'
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = a
num_reactions = 1
equilibrium_constants = eqm_k
primary_activity_coefficients = 2
reactions = 1
specific_reactive_surface_area = 0.5
kinetic_rate_constant = 0.6065306597126334
activation_energy = 3
molar_volume = 2
gas_constant = 6
reference_temperature = 0.5
[]
[mineral_conc]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = ini_mineral_conc
[]
[simple_fluid0]
type = PorousFlowSingleComponentFluid
fp = simple_fluid
phase = 0
[]
[simple_fluid1]
type = PorousFlowSingleComponentFluid
fp = simple_fluid
phase = 1
[]
[porosity]
type = PorousFlowPorosityConst
porosity = 0.4
[]
[]
[Preconditioning]
[smp]
type = SMP
full = true
[]
[]
[Executioner]
type = Transient
solve_type = Newton
nl_abs_tol = 1E-10
dt = 0.01
end_time = 1
[]
[Postprocessors]
[a]
type = PointValue
point = '0 0 0'
variable = a
[]
[should_be_static]
type = PointValue
point = '0 0 0'
variable = should_be_static
[]
[]
[Outputs]
time_step_interval = 10
csv = true
perf_graph = true
[]
(modules/porous_flow/test/tests/jacobian/chem04.i)
# PorousFlowPreDis, which is essentially checking the derivatives of the secondary concentrations in PorousFlowMassFractionAqueousPreDisChemistry
# Precipitation with temperature
[Mesh]
type = GeneratedMesh
dim = 1
[]
[Variables]
[a]
initial_condition = 0.6
[]
[b]
initial_condition = 0.4
[]
[temp]
initial_condition = 0.5
[]
[]
[AuxVariables]
[eqm_k]
initial_condition = 1.234
[]
[ini_sec_conc]
initial_condition = 0.222
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
[]
[Kernels]
[a]
type = PorousFlowPreDis
variable = a
mineral_density = 1E-5
stoichiometry = 2
[]
[b]
type = PorousFlowPreDis
variable = b
mineral_density = 2.2E-5
stoichiometry = 3
[]
[temp]
type = Diffusion
variable = temp
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'a b temp'
number_fluid_phases = 1
number_fluid_components = 3
number_aqueous_kinetic = 1
[]
[]
[AuxVariables]
[pressure]
[]
[]
[Materials]
[porosity]
type = PorousFlowPorosity
porosity_zero = 0.9
[]
[temperature]
type = PorousFlowTemperature
temperature = temp
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[massfrac]
type = PorousFlowMassFraction
mass_fraction_vars = 'a b'
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = 'a b'
num_reactions = 1
equilibrium_constants = eqm_k
primary_activity_coefficients = '2.5 3.8'
reactions = '1.1 1.2'
specific_reactive_surface_area = -44.4E-2
kinetic_rate_constant = 0.678
activation_energy = 4.4
molar_volume = 3.3
reference_temperature = 1
gas_constant = 7.4
theta_exponent = 1.1
eta_exponent = 1.2
[]
[mineral]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = ini_sec_conc
[]
[]
[Executioner]
type = Transient
solve_type = Newton
dt = 0.1
end_time = 0.1
[]
[Preconditioning]
[check]
type = SMP
full = true
petsc_options_iname = '-ksp_type -pc_type -snes_atol -snes_rtol -snes_max_it -snes_type'
petsc_options_value = 'bcgs bjacobi 1E-15 1E-10 10000 test'
[]
[]
(modules/porous_flow/test/tests/jacobian/chem06.i)
# PorousFlowPreDis, which is essentially checking the derivatives of the secondary concentrations in PorousFlowMassFractionAqueousPreDisChemistry
# Dissolution with no temperature dependence, with one primary variable = 0 and stoichiometry = 1
[Mesh]
type = GeneratedMesh
dim = 1
[]
[Variables]
[a]
initial_condition = 0.2
[]
[b]
initial_condition = 0.0
[]
[]
[AuxVariables]
[eqm_k]
initial_condition = 1.234
[]
[temp]
initial_condition = 0.5
[]
[ini_sec_conc]
initial_condition = 0.222
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
[]
[Kernels]
[a]
type = PorousFlowPreDis
variable = a
mineral_density = 1E5
stoichiometry = 2
[]
[b]
type = PorousFlowPreDis
variable = b
mineral_density = 2.2E5
stoichiometry = 3
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'a b'
number_fluid_phases = 1
number_fluid_components = 3
number_aqueous_kinetic = 1
[]
[]
[AuxVariables]
[pressure]
[]
[]
[Materials]
[porosity]
type = PorousFlowPorosity
porosity_zero = 0.9
[]
[temperature]
type = PorousFlowTemperature
temperature = temp
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[massfrac]
type = PorousFlowMassFraction
mass_fraction_vars = 'a b'
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = 'a b'
num_reactions = 1
equilibrium_constants = eqm_k
primary_activity_coefficients = '0.5 0.8'
reactions = '3 1'
specific_reactive_surface_area = -44.4E-2
kinetic_rate_constant = 0.678
activation_energy = 4.4
molar_volume = 3.3
reference_temperature = 1
gas_constant = 7.4
theta_exponent = 1
eta_exponent = 1.2
[]
[mineral]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = ini_sec_conc
[]
[]
[Executioner]
type = Transient
solve_type = Newton
dt = 0.1
end_time = 0.1
[]
[Preconditioning]
[check]
type = SMP
full = true
petsc_options = '-snes_test_display'
petsc_options_iname = '-ksp_type -pc_type -snes_atol -snes_rtol -snes_max_it -snes_type'
petsc_options_value = 'bcgs bjacobi 1E-15 1E-10 10000 test'
[]
[]
(modules/porous_flow/test/tests/jacobian/chem05.i)
# PorousFlowPreDis, which is essentially checking the derivatives of the secondary concentrations in PorousFlowMassFractionAqueousPreDisChemistry
# Dissolution with no temperature dependence, with one primary variable = 0 and stoichiometry > 1
[Mesh]
type = GeneratedMesh
dim = 1
[]
[Variables]
[a]
initial_condition = 0.0
[]
[b]
initial_condition = 0.2
[]
[]
[AuxVariables]
[eqm_k]
initial_condition = 1.234
[]
[ini_sec_conc]
initial_condition = 0.222
[]
[temp]
initial_condition = 0.5
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
[]
[Kernels]
[a]
type = PorousFlowPreDis
variable = a
mineral_density = 1E5
stoichiometry = 2
[]
[b]
type = PorousFlowPreDis
variable = b
mineral_density = 2.2E5
stoichiometry = 3
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'a b'
number_fluid_phases = 1
number_fluid_components = 3
number_aqueous_kinetic = 1
[]
[]
[AuxVariables]
[pressure]
[]
[]
[Materials]
[porosity]
type = PorousFlowPorosity
porosity_zero = 0.9
[]
[temperature]
type = PorousFlowTemperature
temperature = temp
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[massfrac]
type = PorousFlowMassFraction
mass_fraction_vars = 'a b'
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = 'a b'
num_reactions = 1
equilibrium_constants = eqm_k
primary_activity_coefficients = '0.5 0.8'
reactions = '2 3'
specific_reactive_surface_area = -44.4E-2
kinetic_rate_constant = 0.678
activation_energy = 4.4
molar_volume = 3.3
reference_temperature = 1
gas_constant = 7.4
theta_exponent = 1.1
eta_exponent = 1.2
[]
[mineral]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = ini_sec_conc
[]
[]
[Executioner]
type = Transient
solve_type = Newton
dt = 0.1
end_time = 0.1
[]
[Preconditioning]
[check]
type = SMP
full = true
petsc_options = '-snes_test_display'
petsc_options_iname = '-ksp_type -pc_type -snes_atol -snes_rtol -snes_max_it -snes_type'
petsc_options_value = 'bcgs bjacobi 1E-15 1E-10 10000 test'
[]
[]
(modules/porous_flow/examples/tutorial/07.i)
# Darcy flow with a tracer that precipitates causing mineralisation and porosity changes and permeability changes
[Mesh]
[annular]
type = AnnularMeshGenerator
nr = 10
rmin = 1.0
rmax = 10
growth_r = 1.4
nt = 4
dmin = 0
dmax = 90
[]
[make3D]
input = annular
type = MeshExtruderGenerator
extrusion_vector = '0 0 12'
num_layers = 3
bottom_sideset = 'bottom'
top_sideset = 'top'
[]
[shift_down]
type = TransformGenerator
transform = TRANSLATE
vector_value = '0 0 -6'
input = make3D
[]
[aquifer]
type = SubdomainBoundingBoxGenerator
block_id = 1
bottom_left = '0 0 -2'
top_right = '10 10 2'
input = shift_down
[]
[injection_area]
type = ParsedGenerateSideset
combinatorial_geometry = 'x*x+y*y<1.01'
included_subdomains = 1
new_sideset_name = 'injection_area'
input = 'aquifer'
[]
[rename]
type = RenameBlockGenerator
old_block = '0 1'
new_block = 'caps aquifer'
input = 'injection_area'
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
[]
[Variables]
[porepressure]
[]
[tracer_concentration]
[]
[]
[PorousFlowFullySaturated]
porepressure = porepressure
coupling_type = Hydro
gravity = '0 0 0'
fp = the_simple_fluid
mass_fraction_vars = tracer_concentration
number_aqueous_kinetic = 1
temperature = 283.0
stabilization = none # Note to reader: try this with other stabilization and compare the results
[]
[AuxVariables]
[eqm_k]
initial_condition = 0.1
[]
[mineral_conc]
family = MONOMIAL
order = CONSTANT
[]
[initial_and_reference_conc]
initial_condition = 0
[]
[porosity]
family = MONOMIAL
order = CONSTANT
[]
[permeability]
family = MONOMIAL
order = CONSTANT
[]
[]
[AuxKernels]
[mineral_conc]
type = PorousFlowPropertyAux
property = mineral_concentration
mineral_species = 0
variable = mineral_conc
[]
[porosity]
type = PorousFlowPropertyAux
property = porosity
variable = porosity
[]
[permeability]
type = PorousFlowPropertyAux
property = permeability
column = 0
row = 0
variable = permeability
[]
[]
[Kernels]
[precipitation_dissolution]
type = PorousFlowPreDis
mineral_density = 1000.0
stoichiometry = 1
variable = tracer_concentration
[]
[]
[BCs]
[constant_injection_of_tracer]
type = PorousFlowSink
variable = tracer_concentration
flux_function = -5E-3
boundary = injection_area
[]
[constant_outer_porepressure]
type = DirichletBC
variable = porepressure
value = 0
boundary = rmax
[]
[]
[FluidProperties]
[the_simple_fluid]
type = SimpleFluidProperties
bulk_modulus = 2E9
viscosity = 1.0E-3
density0 = 1000.0
[]
[]
[Materials]
[porosity_mat]
type = PorousFlowPorosity
porosity_zero = 0.1
chemical = true
initial_mineral_concentrations = initial_and_reference_conc
reference_chemistry = initial_and_reference_conc
[]
[permeability_aquifer]
type = PorousFlowPermeabilityKozenyCarman
block = aquifer
k0 = 1E-14
m = 2
n = 3
phi0 = 0.1
poroperm_function = kozeny_carman_phi0
[]
[permeability_caps]
type = PorousFlowPermeabilityKozenyCarman
block = caps
k0 = 1E-15
k_anisotropy = '1 0 0 0 1 0 0 0 0.1'
m = 2
n = 3
phi0 = 0.1
poroperm_function = kozeny_carman_phi0
[]
[precipitation_dissolution_mat]
type = PorousFlowAqueousPreDisChemistry
reference_temperature = 283.0
activation_energy = 1 # irrelevant because T=Tref
equilibrium_constants = eqm_k # equilibrium tracer concentration
kinetic_rate_constant = 1E-8
molar_volume = 1
num_reactions = 1
primary_activity_coefficients = 1
primary_concentrations = tracer_concentration
reactions = 1
specific_reactive_surface_area = 1
[]
[mineral_concentration]
type = PorousFlowAqueousPreDisMineral
[]
[]
[Preconditioning]
active = basic
[basic]
type = SMP
full = true
petsc_options = '-ksp_diagonal_scale -ksp_diagonal_scale_fix'
petsc_options_iname = '-pc_type -sub_pc_type -sub_pc_factor_shift_type -pc_asm_overlap'
petsc_options_value = ' asm lu NONZERO 2'
[]
[preferred_but_might_not_be_installed]
type = SMP
full = true
petsc_options_iname = '-pc_type -pc_factor_mat_solver_package'
petsc_options_value = ' lu mumps'
[]
[]
[Executioner]
type = Transient
solve_type = Newton
end_time = 1E6
dt = 1E5
nl_abs_tol = 1E-10
[]
[Outputs]
exodus = true
[]
(modules/porous_flow/test/tests/chemistry/dissolution_limited_2phase.i)
# Using a two-phase system (see dissolution_limited.i for the single-phase)
# The saturation and porosity are chosen so that the results are identical to dissolution_limited.i
#
# The dissolution reaction, with limited initial mineral concentration
#
# a <==> mineral
#
# produces "mineral". Using mineral_density = fluid_density, theta = 1 = eta, the DE is
#
# a' = -(mineral / (porosity * saturation))' = rate * surf_area * molar_vol (1 - (1 / eqm_const) * (act_coeff * a)^stoi)
#
# The following parameters are used
#
# T_ref = 0.5 K
# T = 1 K
# activation_energy = 3 J/mol
# gas_constant = 6 J/(mol K)
# kinetic_rate_at_ref_T = 0.60653 mol/(m^2 s)
# These give rate = 0.60653 * exp(1/2) = 1 mol/(m^2 s)
#
# surf_area = 0.5 m^2/L
# molar_volume = 2 L/mol
# These give rate * surf_area * molar_vol = 1 s^-1
#
# equilibrium_constant = 0.5 (dimensionless)
# primary_activity_coefficient = 2 (dimensionless)
# stoichiometry = 1 (dimensionless)
# This means that 1 - (1 / eqm_const) * (act_coeff * a)^stoi = 1 - 4 a, which is positive for a < 0.25, ie dissolution for a(t=0) < 0.25
#
# The solution of the DE is
# a = eqm_const / act_coeff + (a(t=0) - eqm_const / act_coeff) exp(-rate * surf_area * molar_vol * act_coeff * t / eqm_const)
# = 0.25 + (a(t=0) - 0.25) exp(-4 * t)
# c = c(t=0) - (a - a(t=0)) * porosity * saturation
#
# However, c(t=0) is small, so that the reaction only works until c=0, then a and c both remain fixed
#
# This test checks that (a + c / (porosity * saturation)) is time-independent, and that a follows the above solution, until c=0 and thereafter remains fixed.
#
# Aside:
# The exponential curve is not followed exactly because moose actually solves
# (a - a_old)/dt = rate * surf_area * molar_vol (1 - (1 / eqm_const) * (act_coeff * a)^stoi)
# which does not give an exponential exactly, except in the limit dt->0
[Mesh]
type = GeneratedMesh
dim = 1
[]
[Variables]
[a]
initial_condition = 0.05
[]
[]
[AuxVariables]
[eqm_k]
initial_condition = 0.5
[]
[pressure0]
[]
[saturation1]
initial_condition = 0.25
[]
[b]
initial_condition = 0.123
[]
[ini_mineral_conc]
initial_condition = 0.015
[]
[mineral]
family = MONOMIAL
order = CONSTANT
[]
[should_be_static]
family = MONOMIAL
order = CONSTANT
[]
[]
[AuxKernels]
[mineral]
type = PorousFlowPropertyAux
property = mineral_concentration
mineral_species = 0
variable = mineral
[]
[should_be_static]
type = ParsedAux
coupled_variables = 'mineral a'
expression = 'a + mineral / 0.1'
variable = should_be_static
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
[]
[Kernels]
[mass_a]
type = PorousFlowMassTimeDerivative
fluid_component = 0
variable = a
[]
[pre_dis]
type = PorousFlowPreDis
variable = a
mineral_density = 1000
stoichiometry = 1
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = a
number_fluid_phases = 2
number_fluid_components = 2
number_aqueous_kinetic = 1
aqueous_phase_number = 1
[]
[pc]
type = PorousFlowCapillaryPressureConst
[]
[]
[FluidProperties]
[simple_fluid]
type = SimpleFluidProperties
bulk_modulus = 2e9 # huge, so mimic chemical_reactions
density0 = 1000
thermal_expansion = 0
viscosity = 1e-3
[]
[]
[Materials]
[temperature]
type = PorousFlowTemperature
temperature = 1
[]
[ppss]
type = PorousFlow2PhasePS
capillary_pressure = pc
phase0_porepressure = pressure0
phase1_saturation = saturation1
[]
[mass_frac]
type = PorousFlowMassFraction
mass_fraction_vars = 'b a'
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = a
num_reactions = 1
equilibrium_constants = eqm_k
primary_activity_coefficients = 2
reactions = 1
specific_reactive_surface_area = 0.5
kinetic_rate_constant = 0.6065306597126334
activation_energy = 3
molar_volume = 2
gas_constant = 6
reference_temperature = 0.5
[]
[mineral_conc]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = ini_mineral_conc
[]
[simple_fluid0]
type = PorousFlowSingleComponentFluid
fp = simple_fluid
phase = 0
[]
[simple_fluid1]
type = PorousFlowSingleComponentFluid
fp = simple_fluid
phase = 1
[]
[porosity]
type = PorousFlowPorosityConst
porosity = 0.4
[]
[]
[Preconditioning]
[smp]
type = SMP
full = true
[]
[]
[Executioner]
type = Transient
solve_type = Newton
nl_abs_tol = 1E-10
dt = 0.01
end_time = 1
[]
[Postprocessors]
[a]
type = PointValue
point = '0 0 0'
variable = a
[]
[should_be_static]
type = PointValue
point = '0 0 0'
variable = should_be_static
[]
[]
[Outputs]
time_step_interval = 10
csv = true
perf_graph = true
[]
(modules/porous_flow/test/tests/chemistry/except15.i)
# Exception test
# Incorrect number of secondary densities
[Mesh]
type = GeneratedMesh
dim = 1
[]
[Variables]
[a]
[]
[b]
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
[]
[Kernels]
[a]
type = PorousFlowPreDis
variable = a
mineral_density = '1 1'
stoichiometry = 2
[]
[b]
type = PorousFlowPreDis
variable = b
mineral_density = 1
stoichiometry = 3
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'a b'
number_fluid_phases = 1
number_fluid_components = 3
number_aqueous_kinetic = 1
[]
[]
[FluidProperties]
[simple_fluid]
type = SimpleFluidProperties
[]
[]
[AuxVariables]
[eqm_k]
initial_condition = 1E-6
[]
[pressure]
[]
[]
[Materials]
[temperature]
type = PorousFlowTemperature
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[massfrac]
type = PorousFlowMassFraction
mass_fraction_vars = 'a b'
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = 'a b'
num_reactions = 1
equilibrium_constants = eqm_k
primary_activity_coefficients = '1 1'
reactions = '2 3'
specific_reactive_surface_area = 1.0
kinetic_rate_constant = 1.0e-8
activation_energy = 1.5e4
molar_volume = 1
[]
[mineral]
type = PorousFlowAqueousPreDisMineral
[]
[porosity]
type = PorousFlowPorosity
porosity_zero = 0.1
[]
[simple_fluid]
type = PorousFlowSingleComponentFluid
fp = simple_fluid
phase = 0
[]
[]
[Executioner]
type = Transient
solve_type = Newton
end_time = 1
[]
(modules/porous_flow/test/tests/jacobian/chem03.i)
# PorousFlowPreDis, which is essentially checking the derivatives of the secondary concentrations in PorousFlowMassFractionAqueousPreDisChemistry
# Dissolution with temperature
[Mesh]
type = GeneratedMesh
dim = 1
[]
[Variables]
[a]
initial_condition = 0.1
[]
[b]
initial_condition = 0.2
[]
[temp]
initial_condition = 0.5
[]
[]
[AuxVariables]
[eqm_k]
initial_condition = 1.234
[]
[ini_sec_conc]
initial_condition = 0.222
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
[]
[Kernels]
[a]
type = PorousFlowPreDis
variable = a
mineral_density = 1E-5
stoichiometry = 2
[]
[b]
type = PorousFlowPreDis
variable = b
mineral_density = 2.2E-5
stoichiometry = 3
[]
[temp]
type = Diffusion
variable = temp
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'a b temp'
number_fluid_phases = 1
number_fluid_components = 3
number_aqueous_kinetic = 1
[]
[]
[AuxVariables]
[pressure]
[]
[]
[Materials]
[porosity]
type = PorousFlowPorosity
porosity_zero = 0.9
[]
[temperature]
type = PorousFlowTemperature
temperature = temp
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[massfrac]
type = PorousFlowMassFraction
mass_fraction_vars = 'a b'
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = 'a b'
num_reactions = 1
equilibrium_constants = eqm_k
primary_activity_coefficients = '0.5 0.8'
reactions = '2 3'
specific_reactive_surface_area = -44.4E-2
kinetic_rate_constant = 0.678
activation_energy = 4.4
molar_volume = 3.3
reference_temperature = 1
gas_constant = 7.4
theta_exponent = 1.1
eta_exponent = 1.2
[]
[mineral]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = ini_sec_conc
[]
[]
[Executioner]
type = Transient
solve_type = Newton
dt = 0.1
end_time = 0.1
[]
[Preconditioning]
[check]
type = SMP
full = true
petsc_options_iname = '-ksp_type -pc_type -snes_atol -snes_rtol -snes_max_it -snes_type'
petsc_options_value = 'bcgs bjacobi 1E-15 1E-10 10000 test'
[]
[]
(modules/porous_flow/test/tests/jacobian/chem08.i)
# PorousFlowPreDis, which is essentially checking the derivatives of the secondary concentrations in PorousFlowMassFractionAqueousPreDisChemistry
# Dissolution with temperature, with one primary variable = 0 and stoichiometry > 1
[Mesh]
type = GeneratedMesh
dim = 1
[]
[Variables]
[a]
initial_condition = 0.2
[]
[b]
initial_condition = 0.0
[]
[temp]
initial_condition = 0.5
[]
[]
[AuxVariables]
[eqm_k]
initial_condition = 1.234
[]
[ini_sec_conc]
initial_condition = 0.222
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
[]
[Kernels]
[a]
type = PorousFlowPreDis
variable = a
mineral_density = 1E10
stoichiometry = 2
[]
[b]
type = PorousFlowPreDis
variable = b
mineral_density = 2.2E10
stoichiometry = 3
[]
[temp]
type = Diffusion
variable = temp
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'a b temp'
number_fluid_phases = 1
number_fluid_components = 3
number_aqueous_kinetic = 1
[]
[]
[AuxVariables]
[pressure]
[]
[]
[Materials]
[porosity]
type = PorousFlowPorosity
porosity_zero = 0.9
[]
[temperature]
type = PorousFlowTemperature
temperature = temp
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[massfrac]
type = PorousFlowMassFraction
mass_fraction_vars = 'a b'
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = 'a b'
num_reactions = 1
equilibrium_constants = eqm_k
primary_activity_coefficients = '0.5 0.8'
reactions = '2 3'
specific_reactive_surface_area = -44.4E-2
kinetic_rate_constant = 0.678
activation_energy = 4.4
molar_volume = 3.3
reference_temperature = 1
gas_constant = 7.4
theta_exponent = 1.1
eta_exponent = 1.2
[]
[mineral]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = ini_sec_conc
[]
[]
[Executioner]
type = Transient
solve_type = Newton
dt = 0.1
end_time = 0.1
[]
[Preconditioning]
[check]
type = SMP
full = true
petsc_options = '-snes_test_display'
petsc_options_iname = '-ksp_type -pc_type -snes_atol -snes_rtol -snes_max_it -snes_type'
petsc_options_value = 'bcgs bjacobi 1E-15 1E-10 10000 test'
[]
[]
(modules/porous_flow/test/tests/jacobian/chem11.i)
# PorousFlowPreDis, which is essentially checking the derivatives of the secondary concentrations in PorousFlowMassFractionAqueousPreDisChemistry
# Dissolution with temperature, with three primary variables and four reactions
[Mesh]
type = GeneratedMesh
dim = 1
[]
[Variables]
[a]
initial_condition = 0.05
[]
[b]
initial_condition = 0.1
[]
[c]
initial_condition = 0.15
[]
[temp]
initial_condition = 0.5
[]
[]
[AuxVariables]
[eqm_k0]
initial_condition = 0.1
[]
[eqm_k1]
initial_condition = 0.2
[]
[eqm_k2]
initial_condition = -0.2
[]
[eqm_k3]
initial_condition = 0.0
[]
[ini_sec_conc0]
initial_condition = 0.02
[]
[ini_sec_conc1]
initial_condition = 0.04
[]
[ini_sec_conc2]
initial_condition = 0.06
[]
[ini_sec_conc3]
initial_condition = 0.08
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
[]
[Kernels]
[a]
type = PorousFlowPreDis
variable = a
mineral_density = '1E10 2E10 3E10 4E10'
stoichiometry = '1 1 2 0.1'
[]
[b]
type = PorousFlowPreDis
variable = b
mineral_density = '1.1E10 2.2E10 3.3E10 4.4E10'
stoichiometry = '2 2 0.1 0.5'
[]
[c]
type = PorousFlowPreDis
variable = c
mineral_density = '0.1E10 0.2E10 0.3E10 0.4E10'
stoichiometry = '3 3 0.1 1'
[]
[temp]
type = Diffusion
variable = temp
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'a b c temp'
number_fluid_phases = 1
number_fluid_components = 4
number_aqueous_kinetic = 4
[]
[]
[AuxVariables]
[pressure]
[]
[]
[Materials]
[porosity]
type = PorousFlowPorosity
porosity_zero = 0.9
[]
[temperature]
type = PorousFlowTemperature
temperature = temp
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[massfrac]
type = PorousFlowMassFraction
mass_fraction_vars = 'a b c'
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = 'a b c'
num_reactions = 4
equilibrium_constants_as_log10 = true
equilibrium_constants = 'eqm_k0 eqm_k1 eqm_k2 eqm_k3'
primary_activity_coefficients = '0.5 0.8 0.9'
reactions = '1 2 3
1 -2 -3
2 0.1 0.1
0.1 0.5 1'
specific_reactive_surface_area = '-44.4E-2 22.1E-2 32.1E-1 -50E-2'
kinetic_rate_constant = '0.678 0.999 1.23 0.3'
activation_energy = '4.4 3.3 4.5 4.0'
molar_volume = '3.3 4.4 5.5 6.6'
reference_temperature = 1
gas_constant = 7.4
theta_exponent = '1.0 1.1 1.2 0.9'
eta_exponent = '1.2 1.01 1.1 1.2'
[]
[mineral]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = 'ini_sec_conc0 ini_sec_conc1 ini_sec_conc2 ini_sec_conc3'
[]
[]
[Executioner]
type = Transient
solve_type = Newton
dt = 0.1
end_time = 0.1
[]
[Preconditioning]
[check]
type = SMP
full = true
petsc_options = '-snes_test_display'
petsc_options_iname = '-ksp_type -pc_type -snes_atol -snes_rtol -snes_max_it -snes_type'
petsc_options_value = 'bcgs bjacobi 1E-15 1E-10 10000 test'
[]
[]
(modules/porous_flow/test/tests/chemistry/precipitation.i)
# The precipitation reaction
#
# a <==> mineral
#
# produces "mineral". Using mineral_density = fluid_density, theta = 1 = eta, the DE is
#
# a' = -(mineral / porosity)' = rate * surf_area * molar_vol (1 - (1 / eqm_const) * (act_coeff * a)^stoi)
#
# The following parameters are used
#
# T_ref = 0.5 K
# T = 1 K
# activation_energy = 3 J/mol
# gas_constant = 6 J/(mol K)
# kinetic_rate_at_ref_T = 0.60653 mol/(m^2 s)
# These give rate = 0.60653 * exp(1/2) = 1 mol/(m^2 s)
#
# surf_area = 0.5 m^2/L
# molar_volume = 2 L/mol
# These give rate * surf_area * molar_vol = 1 s^-1
#
# equilibrium_constant = 0.5 (dimensionless)
# primary_activity_coefficient = 2 (dimensionless)
# stoichiometry = 1 (dimensionless)
# This means that 1 - (1 / eqm_const) * (act_coeff * a)^stoi = 1 - 4 a, which is negative for a > 0.25, ie precipitation for a(t=0) > 0.25
#
# The solution of the DE is
# a = eqm_const / act_coeff + (a(t=0) - eqm_const / act_coeff) exp(-rate * surf_area * molar_vol * act_coeff * t / eqm_const)
# = 0.25 + (a(t=0) - 0.25) exp(-4 * t)
# c = c(t=0) - (a - a(t=0)) * porosity
#
# This test checks that (a + c / porosity) is time-independent, and that a follows the above solution
#
# Aside:
# The exponential curve is not followed exactly because moose actually solves
# (a - a_old)/dt = rate * surf_area * molar_vol (1 - (1 / eqm_const) * (act_coeff * a)^stoi)
# which does not give an exponential exactly, except in the limit dt->0
[Mesh]
type = GeneratedMesh
dim = 1
[]
[Variables]
[a]
initial_condition = 0.9
[]
[]
[AuxVariables]
[pressure]
[]
[ini_mineral_conc]
initial_condition = 0.2
[]
[k]
initial_condition = 0.5
[]
[mineral]
family = MONOMIAL
order = CONSTANT
[]
[should_be_static]
family = MONOMIAL
order = CONSTANT
[]
[]
[AuxKernels]
[mineral]
type = PorousFlowPropertyAux
property = mineral_concentration
mineral_species = 0
variable = mineral
[]
[should_be_static]
type = ParsedAux
coupled_variables = 'mineral a'
expression = 'a + mineral / 0.1'
variable = should_be_static
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
[]
[Kernels]
[mass_a]
type = PorousFlowMassTimeDerivative
fluid_component = 0
variable = a
[]
[pre_dis]
type = PorousFlowPreDis
variable = a
mineral_density = 1000
stoichiometry = 1
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = a
number_fluid_phases = 1
number_fluid_components = 2
number_aqueous_kinetic = 1
[]
[]
[FluidProperties]
[simple_fluid]
type = SimpleFluidProperties
bulk_modulus = 2e9 # huge, so mimic chemical_reactions
density0 = 1000
thermal_expansion = 0
viscosity = 1e-3
[]
[]
[Materials]
[temperature]
type = PorousFlowTemperature
temperature = 1
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[mass_frac]
type = PorousFlowMassFraction
mass_fraction_vars = a
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = a
num_reactions = 1
equilibrium_constants = k
primary_activity_coefficients = 2
reactions = 1
specific_reactive_surface_area = 0.5
kinetic_rate_constant = 0.6065306597126334
activation_energy = 3
molar_volume = 2
gas_constant = 6
reference_temperature = 0.5
[]
[mineral_conc]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = ini_mineral_conc
[]
[simple_fluid]
type = PorousFlowSingleComponentFluid
fp = simple_fluid
phase = 0
[]
[porosity]
type = PorousFlowPorosityConst
porosity = 0.1
[]
[]
[Preconditioning]
[smp]
type = SMP
full = true
[]
[]
[Executioner]
type = Transient
solve_type = Newton
nl_abs_tol = 1E-10
dt = 0.01
end_time = 1
[]
[Postprocessors]
[a]
type = PointValue
point = '0 0 0'
variable = a
[]
[should_be_static]
type = PointValue
point = '0 0 0'
variable = should_be_static
[]
[]
[Outputs]
time_step_interval = 10
csv = true
perf_graph = true
[]
(modules/porous_flow/test/tests/chemistry/dissolution.i)
# The dissolution reaction
#
# a <==> mineral
#
# produces "mineral". Using mineral_density = fluid_density, theta = 1 = eta, the DE is
#
# a' = -(mineral / porosity)' = rate * surf_area * molar_vol (1 - (1 / eqm_const) * (act_coeff * a)^stoi)
#
# The following parameters are used
#
# T_ref = 0.5 K
# T = 1 K
# activation_energy = 3 J/mol
# gas_constant = 6 J/(mol K)
# kinetic_rate_at_ref_T = 0.60653 mol/(m^2 s)
# These give rate = 0.60653 * exp(1/2) = 1 mol/(m^2 s)
#
# surf_area = 0.5 m^2/L
# molar_volume = 2 L/mol
# These give rate * surf_area * molar_vol = 1 s^-1
#
# equilibrium_constant = 0.5 (dimensionless)
# primary_activity_coefficient = 2 (dimensionless)
# stoichiometry = 1 (dimensionless)
# This means that 1 - (1 / eqm_const) * (act_coeff * a)^stoi = 1 - 4 a, which is positive for a < 0.25, ie dissolution for a(t=0) < 0.25
#
# The solution of the DE is
# a = eqm_const / act_coeff + (a(t=0) - eqm_const / act_coeff) exp(-rate * surf_area * molar_vol * act_coeff * t / eqm_const)
# = 0.25 + (a(t=0) - 0.25) exp(-4 * t)
# c = c(t=0) - (a - a(t=0)) * porosity
#
# This test checks that (a + c / porosity) is time-independent, and that a follows the above solution
#
# Aside:
# The exponential curve is not followed exactly because moose actually solves
# (a - a_old)/dt = rate * surf_area * molar_vol (1 - (1 / eqm_const) * (act_coeff * a)^stoi)
# which does not give an exponential exactly, except in the limit dt->0
[Mesh]
type = GeneratedMesh
dim = 1
[]
[Variables]
[a]
initial_condition = 0.05
[]
[]
[AuxVariables]
[eqm_k]
initial_condition = 0.5
[]
[pressure]
[]
[ini_mineral_conc]
initial_condition = 0.3
[]
[mineral]
family = MONOMIAL
order = CONSTANT
[]
[should_be_static]
family = MONOMIAL
order = CONSTANT
[]
[]
[AuxKernels]
[mineral]
type = PorousFlowPropertyAux
property = mineral_concentration
mineral_species = 0
variable = mineral
[]
[should_be_static]
type = ParsedAux
coupled_variables = 'mineral a'
expression = 'a + mineral / 0.1'
variable = should_be_static
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
[]
[Kernels]
[mass_a]
type = PorousFlowMassTimeDerivative
fluid_component = 0
variable = a
[]
[pre_dis]
type = PorousFlowPreDis
variable = a
mineral_density = 1000
stoichiometry = 1
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = a
number_fluid_phases = 1
number_fluid_components = 2
number_aqueous_kinetic = 1
[]
[]
[FluidProperties]
[simple_fluid]
type = SimpleFluidProperties
bulk_modulus = 2e9 # huge, so mimic chemical_reactions
density0 = 1000
thermal_expansion = 0
viscosity = 1e-3
[]
[]
[Materials]
[temperature]
type = PorousFlowTemperature
temperature = 1
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[mass_frac]
type = PorousFlowMassFraction
mass_fraction_vars = a
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = a
num_reactions = 1
equilibrium_constants = eqm_k
primary_activity_coefficients = 2
reactions = 1
specific_reactive_surface_area = 0.5
kinetic_rate_constant = 0.6065306597126334
activation_energy = 3
molar_volume = 2
gas_constant = 6
reference_temperature = 0.5
[]
[mineral_conc]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = ini_mineral_conc
[]
[simple_fluid]
type = PorousFlowSingleComponentFluid
fp = simple_fluid
phase = 0
[]
[porosity]
type = PorousFlowPorosityConst
porosity = 0.1
[]
[]
[Preconditioning]
[smp]
type = SMP
full = true
[]
[]
[Executioner]
type = Transient
solve_type = Newton
nl_abs_tol = 1E-10
dt = 0.01
end_time = 1
[]
[Postprocessors]
[a]
type = PointValue
point = '0 0 0'
variable = a
[]
[should_be_static]
type = PointValue
point = '0 0 0'
variable = should_be_static
[]
[]
[Outputs]
time_step_interval = 10
csv = true
perf_graph = true
[]
(modules/porous_flow/test/tests/chemistry/except16.i)
# Exception test
# Incorrect number of stoichiometry
[Mesh]
type = GeneratedMesh
dim = 1
[]
[Variables]
[a]
[]
[b]
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
[]
[Kernels]
[a]
type = PorousFlowPreDis
variable = a
mineral_density = 1
stoichiometry = '2 3'
[]
[b]
type = PorousFlowPreDis
variable = b
mineral_density = 1
stoichiometry = 3
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'a b'
number_fluid_phases = 1
number_fluid_components = 3
number_aqueous_kinetic = 1
[]
[]
[FluidProperties]
[simple_fluid]
type = SimpleFluidProperties
[]
[]
[AuxVariables]
[eqm_k]
initial_condition = 1E-6
[]
[pressure]
[]
[]
[Materials]
[temperature]
type = PorousFlowTemperature
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[massfrac]
type = PorousFlowMassFraction
mass_fraction_vars = 'a b'
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = 'a b'
num_reactions = 1
equilibrium_constants = eqm_k
primary_activity_coefficients = '1 1'
reactions = '2 3'
specific_reactive_surface_area = 1.0
kinetic_rate_constant = 1.0e-8
activation_energy = 1.5e4
molar_volume = 1
[]
[mineral]
type = PorousFlowAqueousPreDisMineral
[]
[porosity]
type = PorousFlowPorosity
porosity_zero = 0.1
[]
[simple_fluid]
type = PorousFlowSingleComponentFluid
fp = simple_fluid
phase = 0
[]
[]
[Executioner]
type = Transient
solve_type = Newton
end_time = 1
[]
(modules/porous_flow/test/tests/jacobian/chem02.i)
# PorousFlowPreDis, which is essentially checking the derivatives of the secondary concentrations in PorousFlowMassFractionAqueousPreDisChemistry
# Precipitation with temperature
[Mesh]
type = GeneratedMesh
dim = 1
[]
[Variables]
[a]
initial_condition = 0.6
[]
[b]
initial_condition = 0.4
[]
[]
[AuxVariables]
[eqm_k]
initial_condition = 1.234
[]
[temp]
initial_condition = 0.5
[]
[ini_sec_conc]
initial_condition = 0.222
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
[]
[Kernels]
[a]
type = PorousFlowPreDis
variable = a
mineral_density = 1E5
stoichiometry = 2
[]
[b]
type = PorousFlowPreDis
variable = b
mineral_density = 2.2E5
stoichiometry = 3
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'a b'
number_fluid_phases = 1
number_fluid_components = 3
number_aqueous_kinetic = 1
[]
[]
[AuxVariables]
[pressure]
[]
[]
[Materials]
[porosity]
type = PorousFlowPorosity
porosity_zero = 0.9
[]
[temperature]
type = PorousFlowTemperature
temperature = temp
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[massfrac]
type = PorousFlowMassFraction
mass_fraction_vars = 'a b'
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = 'a b'
num_reactions = 1
equilibrium_constants = eqm_k
primary_activity_coefficients = '2.5 3.8'
reactions = '1.1 1.2'
specific_reactive_surface_area = -44.4E-2
kinetic_rate_constant = 0.678
activation_energy = 4.4
molar_volume = 3.3
reference_temperature = 1
gas_constant = 7.4
theta_exponent = 1.1
eta_exponent = 1.2
[]
[mineral]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = ini_sec_conc
[]
[]
[Executioner]
type = Transient
solve_type = Newton
dt = 0.1
end_time = 0.1
[]
[Preconditioning]
[check]
type = SMP
full = true
petsc_options_iname = '-ksp_type -pc_type -snes_atol -snes_rtol -snes_max_it -snes_type'
petsc_options_value = 'bcgs bjacobi 1E-15 1E-10 10000 test'
[]
[]
(modules/porous_flow/test/tests/jacobian/chem13.i)
# PorousFlowPreDis, which is essentially checking the derivatives of the secondary concentrations in PorousFlowMassFractionAqueousPreDisChemistry
# Dissolution with temperature, with three primary variables and four reactions, and some zero concnetrations
[Mesh]
type = GeneratedMesh
dim = 1
[]
[Variables]
[a]
initial_condition = 0
[]
[b]
initial_condition = 0
[]
[c]
initial_condition = 0
[]
[temp]
initial_condition = 0.5
[]
[]
[AuxVariables]
[eqm_k0]
initial_condition = 1.234
[]
[eqm_k1]
initial_condition = 1.999
[]
[eqm_k2]
initial_condition = 0.789
[]
[eqm_k3]
initial_condition = 1.111
[]
[ini_sec_conc0]
initial_condition = 0.02
[]
[ini_sec_conc1]
initial_condition = 0.04
[]
[ini_sec_conc2]
initial_condition = 0.06
[]
[ini_sec_conc3]
initial_condition = 0.08
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
[]
[Kernels]
[a]
type = PorousFlowPreDis
variable = a
mineral_density = '1E10 2E10 3E10 4E10'
stoichiometry = '1 1 2 0'
[]
[b]
type = PorousFlowPreDis
variable = b
mineral_density = '1.1E10 2.2E10 3.3E10 4.4E10'
stoichiometry = '2 -2 0 0.5'
[]
[c]
type = PorousFlowPreDis
variable = c
mineral_density = '0.1E10 0.2E10 0.3E10 0.4E10'
stoichiometry = '3 -3 0 1'
[]
[temp]
type = Diffusion
variable = temp
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'a b c temp'
number_fluid_phases = 1
number_fluid_components = 4
number_aqueous_kinetic = 4
[]
[]
[AuxVariables]
[pressure]
[]
[]
[Materials]
[porosity]
type = PorousFlowPorosity
porosity_zero = 0.9
[]
[temperature]
type = PorousFlowTemperature
temperature = temp
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[massfrac]
type = PorousFlowMassFraction
mass_fraction_vars = 'a b c'
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = 'a b c'
num_reactions = 4
equilibrium_constants = 'eqm_k0 eqm_k1 eqm_k2 eqm_k3'
primary_activity_coefficients = '0.5 0.8 0.9'
reactions = '0.5 2 3
1.5 -2 3
2 0 0
0 0.5 1'
specific_reactive_surface_area = '-44.4E-2 22.1E-2 32.1E-1 -50E-2'
kinetic_rate_constant = '0.678 0.999 1.23 0.3'
activation_energy = '4.4 3.3 4.5 4.0'
molar_volume = '3.3 4.4 5.5 6.6'
reference_temperature = 1
gas_constant = 7.4
theta_exponent = '1.0 1.1 1.2 0.9'
eta_exponent = '1.2 1.01 1.1 1.2'
[]
[mineral]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = 'ini_sec_conc0 ini_sec_conc1 ini_sec_conc2 ini_sec_conc3'
[]
[]
[Executioner]
type = Transient
solve_type = Newton
dt = 0.1
end_time = 0.1
[]
[Preconditioning]
[check]
type = SMP
full = true
petsc_options = '-snes_test_display'
petsc_options_iname = '-ksp_type -pc_type -snes_atol -snes_rtol -snes_max_it -snes_type'
petsc_options_value = 'bcgs bjacobi 1E-15 1E-10 10000 test'
[]
[]
(modules/porous_flow/test/tests/jacobian/chem07.i)
# PorousFlowPreDis, which is essentially checking the derivatives of the secondary concentrations in PorousFlowMassFractionAqueousPreDisChemistry
# Dissolution with no temperature dependence, with two primary variables = 0
[Mesh]
type = GeneratedMesh
dim = 1
[]
[Variables]
[a]
initial_condition = 0.0
[]
[b]
initial_condition = 0.0
[]
[]
[AuxVariables]
[eqm_k]
initial_condition = 1.234
[]
[temp]
initial_condition = 0.5
[]
[ini_sec_conc]
initial_condition = 0.222
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
[]
[Kernels]
[a]
type = PorousFlowPreDis
variable = a
mineral_density = 1E5
stoichiometry = 2
[]
[b]
type = PorousFlowPreDis
variable = b
mineral_density = 2.2E5
stoichiometry = 3
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'a b'
number_fluid_phases = 1
number_fluid_components = 3
number_aqueous_kinetic = 1
[]
[]
[AuxVariables]
[pressure]
[]
[]
[Materials]
[porosity]
type = PorousFlowPorosity
porosity_zero = 0.9
[]
[temperature]
type = PorousFlowTemperature
temperature = temp
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[massfrac]
type = PorousFlowMassFraction
mass_fraction_vars = 'a b'
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = 'a b'
num_reactions = 1
equilibrium_constants = eqm_k
primary_activity_coefficients = '0.5 0.8'
reactions = '1 3'
specific_reactive_surface_area = -44.4E-2
kinetic_rate_constant = 0.678
activation_energy = 4.4
molar_volume = 3.3
reference_temperature = 1
gas_constant = 7.4
theta_exponent = 1.0
eta_exponent = 1.2
[]
[mineral]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = ini_sec_conc
[]
[]
[Executioner]
type = Transient
solve_type = Newton
dt = 0.1
end_time = 0.1
[]
[Preconditioning]
[check]
type = SMP
full = true
petsc_options = '-snes_test_display'
petsc_options_iname = '-ksp_type -pc_type -snes_atol -snes_rtol -snes_max_it -snes_type'
petsc_options_value = 'bcgs bjacobi 1E-15 1E-10 10000 test'
[]
[]
(modules/porous_flow/test/tests/chemistry/dissolution_limited.i)
# The dissolution reaction, with limited initial mineral concentration
#
# a <==> mineral
#
# produces "mineral". Using mineral_density = fluid_density, theta = 1 = eta, the DE is
#
# a' = -(mineral / porosity)' = rate * surf_area * molar_vol (1 - (1 / eqm_const) * (act_coeff * a)^stoi)
#
# The following parameters are used
#
# T_ref = 0.5 K
# T = 1 K
# activation_energy = 3 J/mol
# gas_constant = 6 J/(mol K)
# kinetic_rate_at_ref_T = 0.60653 mol/(m^2 s)
# These give rate = 0.60653 * exp(1/2) = 1 mol/(m^2 s)
#
# surf_area = 0.5 m^2/L
# molar_volume = 2 L/mol
# These give rate * surf_area * molar_vol = 1 s^-1
#
# equilibrium_constant = 0.5 (dimensionless)
# primary_activity_coefficient = 2 (dimensionless)
# stoichiometry = 1 (dimensionless)
# This means that 1 - (1 / eqm_const) * (act_coeff * a)^stoi = 1 - 4 a, which is positive for a < 0.25, ie dissolution for a(t=0) < 0.25
#
# The solution of the DE is
# a = eqm_const / act_coeff + (a(t=0) - eqm_const / act_coeff) exp(-rate * surf_area * molar_vol * act_coeff * t / eqm_const)
# = 0.25 + (a(t=0) - 0.25) exp(-4 * t)
# c = c(t=0) - (a - a(t=0)) * porosity
#
# However, c(t=0) is small, so that the reaction only works until c=0, then a and c both remain fixed
#
# This test checks that (a + c / porosity) is time-independent, and that a follows the above solution, until c=0 and thereafter remains fixed.
#
# Aside:
# The exponential curve is not followed exactly because moose actually solves
# (a - a_old)/dt = rate * surf_area * molar_vol (1 - (1 / eqm_const) * (act_coeff * a)^stoi)
# which does not give an exponential exactly, except in the limit dt->0
[Mesh]
type = GeneratedMesh
dim = 1
[]
[Variables]
[a]
initial_condition = 0.05
[]
[]
[AuxVariables]
[eqm_k]
initial_condition = 0.5
[]
[pressure]
[]
[ini_mineral_conc]
initial_condition = 0.015
[]
[mineral]
family = MONOMIAL
order = CONSTANT
[]
[should_be_static]
family = MONOMIAL
order = CONSTANT
[]
[]
[AuxKernels]
[mineral]
type = PorousFlowPropertyAux
property = mineral_concentration
mineral_species = 0
variable = mineral
[]
[should_be_static]
type = ParsedAux
coupled_variables = 'mineral a'
expression = 'a + mineral / 0.1'
variable = should_be_static
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
[]
[Kernels]
[mass_a]
type = PorousFlowMassTimeDerivative
fluid_component = 0
variable = a
[]
[pre_dis]
type = PorousFlowPreDis
variable = a
mineral_density = 1000
stoichiometry = 1
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = a
number_fluid_phases = 1
number_fluid_components = 2
number_aqueous_kinetic = 1
[]
[]
[FluidProperties]
[simple_fluid]
type = SimpleFluidProperties
bulk_modulus = 2e9 # huge, so mimic chemical_reactions
density0 = 1000
thermal_expansion = 0
viscosity = 1e-3
[]
[]
[Materials]
[temperature]
type = PorousFlowTemperature
temperature = 1
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[mass_frac]
type = PorousFlowMassFraction
mass_fraction_vars = a
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = a
num_reactions = 1
equilibrium_constants = eqm_k
primary_activity_coefficients = 2
reactions = 1
specific_reactive_surface_area = 0.5
kinetic_rate_constant = 0.6065306597126334
activation_energy = 3
molar_volume = 2
gas_constant = 6
reference_temperature = 0.5
[]
[mineral_conc]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = ini_mineral_conc
[]
[simple_fluid]
type = PorousFlowSingleComponentFluid
fp = simple_fluid
phase = 0
[]
[porosity]
type = PorousFlowPorosityConst
porosity = 0.1
[]
[]
[Preconditioning]
[smp]
type = SMP
full = true
[]
[]
[Executioner]
type = Transient
solve_type = Newton
nl_abs_tol = 1E-10
dt = 0.01
end_time = 1
[]
[Postprocessors]
[a]
type = PointValue
point = '0 0 0'
variable = a
[]
[should_be_static]
type = PointValue
point = '0 0 0'
variable = should_be_static
[]
[]
[Outputs]
time_step_interval = 10
csv = true
perf_graph = true
[]
(modules/porous_flow/test/tests/jacobian/chem09.i)
# PorousFlowPreDis, which is essentially checking the derivatives of the secondary concentrations in PorousFlowMassFractionAqueousPreDisChemistry
# Dissolution with temperature, with one primary variable = 0 and stoichiometry = 1
[Mesh]
type = GeneratedMesh
dim = 1
[]
[Variables]
[a]
initial_condition = 0.0
[]
[b]
initial_condition = 0.2
[]
[temp]
initial_condition = 0.5
[]
[]
[AuxVariables]
[eqm_k]
initial_condition = 1.234
[]
[ini_sec_conc]
initial_condition = 0.222
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
[]
[Kernels]
[a]
type = PorousFlowPreDis
variable = a
mineral_density = 1E10
stoichiometry = 1
[]
[b]
type = PorousFlowPreDis
variable = b
mineral_density = 2.2E10
stoichiometry = 3
[]
[temp]
type = Diffusion
variable = temp
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'a b temp'
number_fluid_phases = 1
number_fluid_components = 3
number_aqueous_kinetic = 1
[]
[]
[AuxVariables]
[pressure]
[]
[]
[Materials]
[porosity]
type = PorousFlowPorosity
porosity_zero = 0.9
[]
[temperature]
type = PorousFlowTemperature
temperature = temp
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[massfrac]
type = PorousFlowMassFraction
mass_fraction_vars = 'a b'
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = 'a b'
num_reactions = 1
equilibrium_constants = eqm_k
primary_activity_coefficients = '0.5 0.8'
reactions = '1 3'
specific_reactive_surface_area = -44.4E-2
kinetic_rate_constant = 0.678
activation_energy = 4.4
molar_volume = 3.3
reference_temperature = 1
gas_constant = 7.4
theta_exponent = 1
eta_exponent = 1.2
[]
[mineral]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = ini_sec_conc
[]
[]
[Executioner]
type = Transient
solve_type = Newton
dt = 0.1
end_time = 0.1
[]
[Preconditioning]
[check]
type = SMP
full = true
petsc_options = '-snes_test_display'
petsc_options_iname = '-ksp_type -pc_type -snes_atol -snes_rtol -snes_max_it -snes_type'
petsc_options_value = 'bcgs bjacobi 1E-15 1E-10 10000 test'
[]
[]
(modules/porous_flow/examples/tutorial/13.i)
# Example of reactive transport model with dissolution of dolomite
#
# The equilibrium system has 5 primary species (Variables) and
# 5 secondary species (PorousFlowMassFractionAqueousEquilibrium).
# Some of the equilibrium constants have been chosen rather arbitrarily.
#
# Equilibrium reactions
# H+ + HCO3- = CO2(aq)
# -H+ + HCO3- = CO32-
# HCO3- + Ca2+ = CaHCO3+
# HCO3- + Mg2+ = MgHCO3+
# HCO3- + Fe2+ = FeHCO3+
#
# The kinetic reaction that dissolves dolomite involves all 5 primary species.
#
# -2H+ + 2HCO3- + Ca2+ + 0.8Mg2+ + 0.2Fe2+ = CaMg0.8Fe0.2(CO3)2
#
# The initial concentration of precipitated dolomite is high, so it starts
# to dissolve immediately, increasing the concentrations of the primary species.
#
# Only single-phase, fully saturated physics is used.
# The pressure gradient is fixed, so that the Darcy velocity is 0.1m/s.
#
# Primary species are injected from the left side, and they flow to the right.
# Less dolomite dissolution therefore occurs on the left side (where
# the primary species have higher concentration).
#
# This test is more fully documented in tutorial_13
[Mesh]
type = GeneratedMesh
dim = 1
nx = 100
xmax = 1
[]
[Variables]
[h+]
[]
[hco3-]
[]
[ca2+]
[]
[mg2+]
[]
[fe2+]
[]
[]
[AuxVariables]
[eqm_k0]
initial_condition = 2.19E6
[]
[eqm_k1]
initial_condition = 4.73E-11
[]
[eqm_k2]
initial_condition = 0.222
[]
[eqm_k3]
initial_condition = 1E-2
[]
[eqm_k4]
initial_condition = 1E-3
[]
[kinetic_k]
initial_condition = 326.2
[]
[pressure]
[]
[dolomite]
family = MONOMIAL
order = CONSTANT
[]
[dolomite_initial]
initial_condition = 1E-7
[]
[]
[AuxKernels]
[dolomite]
type = PorousFlowPropertyAux
property = mineral_concentration
mineral_species = 0
variable = dolomite
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
gravity = '0 0 0'
[]
[ICs]
[pressure_ic]
type = FunctionIC
variable = pressure
function = '(1 - x) * 1E6'
[]
[h+_ic]
type = BoundingBoxIC
variable = h+
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 0.25
inside = 5.0e-2
outside = 1.0e-6
[]
[hco3_ic]
type = BoundingBoxIC
variable = hco3-
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 0.25
inside = 5.0e-2
outside = 1.0e-6
[]
[ca2_ic]
type = BoundingBoxIC
variable = ca2+
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 0.25
inside = 5.0e-2
outside = 1.0e-6
[]
[mg2_ic]
type = BoundingBoxIC
variable = mg2+
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 0.25
inside = 5.0e-2
outside = 1.0e-6
[]
[fe2_ic]
type = BoundingBoxIC
variable = fe2+
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 0.25
inside = 5.0e-2
outside = 1.0e-6
[]
[]
[Kernels]
[h+_ie]
type = PorousFlowMassTimeDerivative
fluid_component = 0
variable = h+
[]
[h+_conv]
type = PorousFlowAdvectiveFlux
fluid_component = 0
variable = h+
[]
[predis_h+]
type = PorousFlowPreDis
variable = h+
mineral_density = 2875.0
stoichiometry = -2
[]
[hco3-_ie]
type = PorousFlowMassTimeDerivative
fluid_component = 1
variable = hco3-
[]
[hco3-_conv]
type = PorousFlowAdvectiveFlux
fluid_component = 1
variable = hco3-
[]
[predis_hco3-]
type = PorousFlowPreDis
variable = hco3-
mineral_density = 2875.0
stoichiometry = 2
[]
[ca2+_ie]
type = PorousFlowMassTimeDerivative
fluid_component = 2
variable = ca2+
[]
[ca2+_conv]
type = PorousFlowAdvectiveFlux
fluid_component = 2
variable = ca2+
[]
[predis_ca2+]
type = PorousFlowPreDis
variable = ca2+
mineral_density = 2875.0
stoichiometry = 1
[]
[mg2+_ie]
type = PorousFlowMassTimeDerivative
fluid_component = 3
variable = mg2+
[]
[mg2+_conv]
type = PorousFlowAdvectiveFlux
fluid_component = 3
variable = mg2+
[]
[predis_mg2+]
type = PorousFlowPreDis
variable = mg2+
mineral_density = 2875.0
stoichiometry = 0.8
[]
[fe2+_ie]
type = PorousFlowMassTimeDerivative
fluid_component = 4
variable = fe2+
[]
[fe2+_conv]
type = PorousFlowAdvectiveFlux
fluid_component = 4
variable = fe2+
[]
[predis_fe2+]
type = PorousFlowPreDis
variable = fe2+
mineral_density = 2875.0
stoichiometry = 0.2
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'h+ hco3- ca2+ mg2+ fe2+'
number_fluid_phases = 1
number_fluid_components = 6
number_aqueous_equilibrium = 5
number_aqueous_kinetic = 1
[]
[]
[FluidProperties]
[simple_fluid]
type = SimpleFluidProperties
viscosity = 1E-3
[]
[]
[BCs]
[hco3-_left]
type = DirichletBC
variable = hco3-
boundary = left
value = 5E-2
[]
[h+_left]
type = DirichletBC
variable = h+
boundary = left
value = 5E-2
[]
[ca2+_left]
type = DirichletBC
variable = ca2+
boundary = left
value = 5E-2
[]
[mg2+_left]
type = DirichletBC
variable = mg2+
boundary = left
value = 5E-2
[]
[fe2+_left]
type = DirichletBC
variable = fe2+
boundary = left
value = 5E-2
[]
[hco3-_right]
type = DirichletBC
variable = hco3-
boundary = right
value = 1E-6
[]
[h+_right]
type = DirichletBC
variable = h+
boundary = right
value = 1e-6
[]
[ca2+_right]
type = DirichletBC
variable = ca2+
boundary = right
value = 1E-6
[]
[mg2+_right]
type = DirichletBC
variable = mg2+
boundary = right
value = 1E-6
[]
[fe2+_right]
type = DirichletBC
variable = fe2+
boundary = right
value = 1E-6
[]
[]
[Materials]
[temperature]
type = PorousFlowTemperature
temperature = 298.15
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[equilibrium_massfrac]
type = PorousFlowMassFractionAqueousEquilibriumChemistry
mass_fraction_vars = 'h+ hco3- ca2+ mg2+ fe2+'
num_reactions = 5
equilibrium_constants = 'eqm_k0 eqm_k1 eqm_k2 eqm_k3 eqm_k4'
primary_activity_coefficients = '1 1 1 1 1'
secondary_activity_coefficients = '1 1 1 1 1'
reactions = '1 1 0 0 0
-1 1 0 0 0
0 1 1 0 0
0 1 0 1 0
0 1 0 0 1'
[]
[kinetic]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = 'h+ hco3- ca2+ mg2+ fe2+'
num_reactions = 1
equilibrium_constants = kinetic_k
primary_activity_coefficients = '1 1 1 1 1'
reactions = '-2 2 1 0.8 0.2'
specific_reactive_surface_area = '1.2E-8'
kinetic_rate_constant = '3E-4'
activation_energy = '1.5e4'
molar_volume = 64365.0
gas_constant = 8.314
reference_temperature = 298.15
[]
[dolomite_conc]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = dolomite_initial
[]
[simple_fluid]
type = PorousFlowSingleComponentFluid
fp = simple_fluid
phase = 0
[]
[porosity]
type = PorousFlowPorosityConst
porosity = 0.2
[]
[permeability]
type = PorousFlowPermeabilityConst
permeability = '1E-10 0 0 0 1E-10 0 0 0 1E-10'
[]
[relp]
type = PorousFlowRelativePermeabilityConst
phase = 0
[]
[]
[Executioner]
type = Transient
solve_type = Newton
end_time = 1
[TimeStepper]
type = IterationAdaptiveDT
dt = 0.1
[]
[]
[Preconditioning]
active = basic
[basic]
type = SMP
full = true
petsc_options = '-ksp_diagonal_scale -ksp_diagonal_scale_fix'
petsc_options_iname = '-pc_type -sub_pc_type -sub_pc_factor_shift_type -pc_asm_overlap'
petsc_options_value = ' asm lu NONZERO 2'
[]
[preferred_but_might_not_be_installed]
type = SMP
full = true
petsc_options_iname = '-pc_type -pc_factor_mat_solver_package'
petsc_options_value = ' lu mumps'
[]
[]
[Outputs]
print_linear_residuals = false
perf_graph = true
exodus = true
[]
(modules/porous_flow/test/tests/chemistry/2species_predis.i)
# PorousFlow analogy of chemical_reactions/test/tests/solid_kinetics/2species_without_action.i
#
# Simple equilibrium reaction example to illustrate the use of PorousFlowAqueousPreDisChemistry
#
# In this example, two primary species a and b diffuse towards each other from
# opposite ends of a porous medium, reacting when they meet to form a mineral
# precipitate. The kinetic reaction is
#
# a + b = mineral
#
# where a and b are the primary species (reactants), and mineral is the precipitate.
# At the time of writing, the results of this test differ from chemical_reactions because
# in PorousFlow the mineral_concentration is measured in m^3 (precipitate) / m^3 (porous_material)
# in chemical_reactions the mineral_concentration is measured in m^3 (precipitate) / m^3 (fluid)
# ie, PorousFlow_mineral_concentration = porosity * chemical_reactions_mineral_concentration
[Mesh]
type = GeneratedMesh
dim = 2
xmax = 1
ymax = 1
nx = 40
[]
[Variables]
[a]
order = FIRST
family = LAGRANGE
initial_condition = 0
[]
[b]
order = FIRST
family = LAGRANGE
initial_condition = 0
[]
[]
[AuxVariables]
[eqm_k]
initial_condition = 1E-6
[]
[pressure]
[]
[mineral]
family = MONOMIAL
order = CONSTANT
[]
[]
[AuxKernels]
[mineral]
type = PorousFlowPropertyAux
property = mineral_concentration
mineral_species = 0
variable = mineral
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
gravity = '0 0 0'
[]
[Kernels]
[mass_a]
type = PorousFlowMassTimeDerivative
fluid_component = 0
variable = a
[]
[diff_a]
type = PorousFlowDispersiveFlux
variable = a
fluid_component = 0
disp_trans = 0
disp_long = 0
[]
[predis_a]
type = PorousFlowPreDis
variable = a
mineral_density = 1000
stoichiometry = 1
[]
[mass_b]
type = PorousFlowMassTimeDerivative
fluid_component = 1
variable = b
[]
[diff_b]
type = PorousFlowDispersiveFlux
variable = b
fluid_component = 1
disp_trans = 0
disp_long = 0
[]
[predis_b]
type = PorousFlowPreDis
variable = b
mineral_density = 1000
stoichiometry = 1
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'a b'
number_fluid_phases = 1
number_fluid_components = 3
number_aqueous_kinetic = 1
[]
[]
[FluidProperties]
[simple_fluid]
type = SimpleFluidProperties
bulk_modulus = 2e9 # huge, so mimic chemical_reactions
density0 = 1000
thermal_expansion = 0
viscosity = 1e-3
[]
[]
[Materials]
[temperature]
type = PorousFlowTemperature
temperature = 298.15
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[massfrac]
type = PorousFlowMassFraction
mass_fraction_vars = 'a b'
[]
[chem]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = 'a b'
num_reactions = 1
equilibrium_constants = eqm_k
primary_activity_coefficients = '1 1'
reactions = '1 1'
specific_reactive_surface_area = '1.0'
kinetic_rate_constant = '1.0e-8'
activation_energy = '1.5e4'
molar_volume = 1
gas_constant = 8.314
reference_temperature = 298.15
[]
[mineral_conc]
type = PorousFlowAqueousPreDisMineral
[]
[simple_fluid]
type = PorousFlowSingleComponentFluid
fp = simple_fluid
phase = 0
[]
[porosity]
type = PorousFlowPorosityConst
porosity = 0.4
[]
[permeability]
type = PorousFlowPermeabilityConst
# porous_flow permeability / porous_flow viscosity = chemical_reactions conductivity = 4E-3
permeability = '4E-6 0 0 0 4E-6 0 0 0 4E-6'
[]
[relp]
type = PorousFlowRelativePermeabilityConst
phase = 0
[]
[diff]
type = PorousFlowDiffusivityConst
# porous_flow diffusion_coeff * tortuousity * porosity = chemical_reactions diffusivity = 5E-4
diffusion_coeff = '12.5E-4 12.5E-4 12.5E-4'
tortuosity = 1.0
[]
[]
[BCs]
[a_left]
type = DirichletBC
variable = a
boundary = left
value = 1.0e-2
[]
[a_right]
type = DirichletBC
variable = a
boundary = right
value = 0
[]
[b_left]
type = DirichletBC
variable = b
boundary = left
value = 0
[]
[b_right]
type = DirichletBC
variable = b
boundary = right
value = 1.0e-2
[]
[]
[Preconditioning]
[smp]
type = SMP
full = true
[]
[]
[Executioner]
type = Transient
solve_type = Newton
dt = 5
end_time = 50
[]
[Outputs]
print_linear_residuals = true
exodus = true
perf_graph = true
hide = eqm_k
[]
(modules/porous_flow/test/tests/jacobian/chem01.i)
# PorousFlowPreDis, which is essentially checking the derivatives of the secondary concentrations in PorousFlowMassFractionAqueousPreDisChemistry
# Dissolution with temperature
[Mesh]
type = GeneratedMesh
dim = 1
[]
[Variables]
[a]
initial_condition = 0.25
[]
[b]
initial_condition = 0.2
[]
[]
[AuxVariables]
[eqm_k]
initial_condition = 1.234
[]
[temp]
initial_condition = 0.5
[]
[ini_sec_conc]
initial_condition = 0.222
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
[]
[Kernels]
[a]
type = PorousFlowPreDis
variable = a
mineral_density = 1E5
stoichiometry = 2
[]
[b]
type = PorousFlowPreDis
variable = b
mineral_density = 2.2E5
stoichiometry = 3
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'a b'
number_fluid_phases = 1
number_fluid_components = 3
number_aqueous_kinetic = 1
[]
[]
[AuxVariables]
[pressure]
[]
[]
[Materials]
[porosity]
type = PorousFlowPorosity
porosity_zero = 0.9
[]
[temperature]
type = PorousFlowTemperature
temperature = temp
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[massfrac]
type = PorousFlowMassFraction
mass_fraction_vars = 'a b'
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = 'a b'
num_reactions = 1
equilibrium_constants = eqm_k
primary_activity_coefficients = '0.5 0.8'
reactions = '2 3'
specific_reactive_surface_area = -44.4E-2
kinetic_rate_constant = 0.678
activation_energy = 4.4
molar_volume = 3.3
reference_temperature = 1
gas_constant = 7.4
theta_exponent = 1.1
eta_exponent = 1.2
[]
[mineral]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = ini_sec_conc
[]
[]
[Executioner]
type = Transient
solve_type = Newton
dt = 0.1
end_time = 0.1
[]
[Preconditioning]
[check]
type = SMP
full = true
petsc_options_iname = '-ksp_type -pc_type -snes_atol -snes_rtol -snes_max_it -snes_type'
petsc_options_value = 'bcgs bjacobi 1E-15 1E-10 10000 test'
[]
[]