Cold CO injection into a reactive, elastic reservoir - a multi-phase THMC problem
Another example describes cold CO injection into a warmer, elastic reservoir, and the MOOSE results were benchmarked against analytical solutions. This page extends that example by assuming the reservoir is chemically reactive to demonstrate how to solve thermal-hydrualic-mechanical-chemical (THMC) problems. There are two possibilities for including geochemical reactions in such a model:
use the simple chemical-reactions functionality built into the PorousFlow module, as described in this page;
couple with the Geochemistry module for more sophisticated geochemical modelling functionality
The geochemistry included here is only meant to illustrate how the functionality of the PorousFlow module could be used, and is not intended to represent reactions in any realistic reservoir.
The chemical reaction
Consider a hypothetical, kinetically-controlled, dissolution reaction of the form In this equation
[dimensionless] is the stoichiometric coefficient for basis chemical species
[mol] is the mole number of the basis chemical species
[mol] is the mol number of mineral that is being dissolved
The general form of the reaction rate for such an equation in PorousFlow is where
[L(mineral)/L(solution)/s] is the reaction rate
[dimensionless] is the saturation of the phase involved in the chemical reaction
[dimensionless] is the porosity
[mol.m.s] is the intrinsic reaction rate
[m/L(solution)] is the specific reactive surface area
[L(mineral).mol] is the molar volume of the mineral
[J.mol] is the activation energy
[J.mol.K] is the gas constant
[K] is the temperature
[K] is the reference temperature
is the activity of the primary species
is the equilibrium constant for the reaction
and are dimensionless exponents
This reaction rate without the term is computed using a PorousFlowAqueousPreDisChemistry Material. The time-dependent volume-fraction of mineral is computed using a PorousFlowAqueousPreDisMineral Material.
In the case at hand, it is assumed that the hypothetical reaction only occurs when the gas phase is present. It is also assumed that the activities of all the primary chemical species are fixed. Physically, this could be due to the CO(g) causing changes in the equilibrium aqueous geochemistry, perhaps by altering the pH, which in turn causes mineral dissolution. To model this, can be taken to be the gas saturation and . It is also assumed the Arrhenius prefactor is irrelevant.
These idealised, hypothetical assumptions lead to a particularly simple reaction rate. In the presence of gas, the reaction rate is controlled by the temperature-dependence of the equilibrium constant, and reads with . Assuming that and there is some gas present, this reaction will continue until all the mineral has dissolved.
Using s, the Materials that compute the reaction rate and the resulting Mineral concentration (m(mineral)/m(porous-material)) are
[predis]
type = PorousFlowAqueousPreDisChemistry
num_reactions = 1
primary_concentrations = 1.0 # fixed activity
equilibrium_constants_as_log10 = true
equilibrium_constants = eqm_const
primary_activity_coefficients = 1.0 # fixed activity
reactions = 1
kinetic_rate_constant = 1E-6
molar_volume = 1.0
specific_reactive_surface_area = 1.0
activation_energy = 0.0 # no Arrhenius
[]
[mineral_conc]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = 0.1
[]
The PorousFlowDictator must be enhanced to include the number of reactions and a specification of the phase number of the phase involved in these reactions.
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'temp pwater sgas disp_r'
number_fluid_phases = 2
number_fluid_components = 2
number_aqueous_kinetic = 1
aqueous_phase_number = 1
[]
The phase involved in the reactions is usually the aqueous phase, hence the aqueous in the keywords, but in this case setting aqueous_phase_number = 1 means the in the above equation is actually the gas saturation.
The equilibrium constant is assumed to be temperature dependent:
[eqm_const_auxk]
type = ParsedAux
variable = eqm_const
args = temp
function = '(358 - temp) / (358 - 294)'
[]
Impact of dissolution on porosity
In PorousFlow, the porosity can depend on mineral concentration as well as the effective porepressure, strain and temperature. In this case, assume that the porosity only depends on the degree of mineralisation: Here:
[dimensionless] is the porosity
[dimensionless] is the reference porosity when
[m(mineral)/m(porous-material)] is the "concentration" of the mineral that is dissolving
[m(mineral)/m(porous-material)] is the reference concentration
For this example, assume and . The relevant Material is:
[porosity_reservoir]
type = PorousFlowPorosity
porosity_zero = 0.2
chemical = true
reference_chemistry = 0.1
initial_mineral_concentrations = 0.1
[]
Results
Figure 1 shows the results. The porosity changes due to reservoir dissolution are kinetically controlled and temperature-dependent, so do not occur as soon as the gas front reaches any given point. Nevertheless, after gas has occupied a region for some time and cooled it, the mineral will completely dissolve, resulting in a porosity of .
Comparing with the case that has no chemistry active (Figure 2 from here), it is seen that the CO front appears at a similar position, but the gas saturation profile is influenced by the porosity changes.
Figure 1: Gas saturation and porosity are impacted through reservoir-rock dissolution.
Figure 2: Gas saturation when there is no chemistry active.
References
(modules/porous_flow/examples/thm_example/2D_c.i)
# Two phase, temperature-dependent, with mechanics and chemistry, radial with fine mesh, constant injection of cold co2 into a overburden-reservoir-underburden containing mostly water
# species=0 is water
# species=1 is co2
# phase=0 is liquid, and since massfrac_ph0_sp0 = 1, this is all water
# phase=1 is gas, and since massfrac_ph1_sp0 = 0, this is all co2
#
# The mesh used below has very high resolution, so the simulation takes a long time to complete.
# Some suggested meshes of different resolution:
# nx=50, bias_x=1.2
# nx=100, bias_x=1.1
# nx=200, bias_x=1.05
# nx=400, bias_x=1.02
# nx=1000, bias_x=1.01
# nx=2000, bias_x=1.003
[Mesh]
type = GeneratedMesh
dim = 2
nx = 2000
bias_x = 1.003
xmin = 0.1
xmax = 5000
ny = 1
ymin = 0
ymax = 11
[]
[Problem]
coord_type = RZ
[]
[GlobalParams]
displacements = 'disp_r disp_z'
PorousFlowDictator = dictator
gravity = '0 0 0'
biot_coefficient = 1.0
[]
[Variables]
[pwater]
initial_condition = 18.3e6
[]
[sgas]
initial_condition = 0.0
[]
[temp]
initial_condition = 358
[]
[disp_r]
[]
[]
[AuxVariables]
[rate]
[]
[disp_z]
[]
[massfrac_ph0_sp0]
initial_condition = 1 # all H20 in phase=0
[]
[massfrac_ph1_sp0]
initial_condition = 0 # no H2O in phase=1
[]
[pgas]
family = MONOMIAL
order = FIRST
[]
[swater]
family = MONOMIAL
order = FIRST
[]
[stress_rr]
order = CONSTANT
family = MONOMIAL
[]
[stress_tt]
order = CONSTANT
family = MONOMIAL
[]
[stress_zz]
order = CONSTANT
family = MONOMIAL
[]
[mineral_conc_m3_per_m3]
family = MONOMIAL
order = CONSTANT
initial_condition = 0.1
[]
[eqm_const]
initial_condition = 0.0
[]
[porosity]
family = MONOMIAL
order = CONSTANT
[]
[]
[Kernels]
[mass_water_dot]
type = PorousFlowMassTimeDerivative
fluid_component = 0
use_displaced_mesh = false
variable = pwater
[]
[flux_water]
type = PorousFlowAdvectiveFlux
fluid_component = 0
use_displaced_mesh = false
variable = pwater
[]
[mass_co2_dot]
type = PorousFlowMassTimeDerivative
fluid_component = 1
use_displaced_mesh = false
variable = sgas
[]
[flux_co2]
type = PorousFlowAdvectiveFlux
fluid_component = 1
use_displaced_mesh = false
variable = sgas
[]
[energy_dot]
type = PorousFlowEnergyTimeDerivative
use_displaced_mesh = false
variable = temp
[]
[advection]
type = PorousFlowHeatAdvection
use_displaced_mesh = false
variable = temp
[]
[conduction]
type = PorousFlowExponentialDecay
use_displaced_mesh = false
variable = temp
reference = 358
rate = rate
[]
[grad_stress_r]
type = StressDivergenceRZTensors
temperature = temp
eigenstrain_names = thermal_contribution
variable = disp_r
use_displaced_mesh = false
component = 0
[]
[poro_r]
type = PorousFlowEffectiveStressCoupling
variable = disp_r
use_displaced_mesh = false
component = 0
[]
[]
[AuxKernels]
[rate]
type = FunctionAux
variable = rate
execute_on = timestep_begin
function = decay_rate
[]
[pgas]
type = PorousFlowPropertyAux
property = pressure
phase = 1
variable = pgas
[]
[swater]
type = PorousFlowPropertyAux
property = saturation
phase = 0
variable = swater
[]
[stress_rr]
type = RankTwoAux
rank_two_tensor = stress
variable = stress_rr
index_i = 0
index_j = 0
[]
[stress_tt]
type = RankTwoAux
rank_two_tensor = stress
variable = stress_tt
index_i = 2
index_j = 2
[]
[stress_zz]
type = RankTwoAux
rank_two_tensor = stress
variable = stress_zz
index_i = 1
index_j = 1
[]
[mineral]
type = PorousFlowPropertyAux
property = mineral_concentration
mineral_species = 0
variable = mineral_conc_m3_per_m3
[]
[eqm_const_auxk]
type = ParsedAux
variable = eqm_const
args = temp
function = '(358 - temp) / (358 - 294)'
[]
[porosity_auxk]
type = PorousFlowPropertyAux
property = porosity
variable = porosity
[]
[]
[Functions]
[decay_rate]
# Eqn(26) of the first paper of LaForce et al.
# Ka * (rho C)_a = 10056886.914
# h = 11
type = ParsedFunction
value = 'sqrt(10056886.914/t)/11.0'
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'temp pwater sgas disp_r'
number_fluid_phases = 2
number_fluid_components = 2
number_aqueous_kinetic = 1
aqueous_phase_number = 1
[]
[pc]
type = PorousFlowCapillaryPressureConst
pc = 0
[]
[]
[Modules]
[FluidProperties]
[water]
type = SimpleFluidProperties
bulk_modulus = 2.27e14
density0 = 970.0
viscosity = 0.3394e-3
cv = 4149.0
cp = 4149.0
porepressure_coefficient = 0.0
thermal_expansion = 0
[]
[co2]
type = SimpleFluidProperties
bulk_modulus = 2.27e14
density0 = 516.48
viscosity = 0.0393e-3
cv = 2920.5
cp = 2920.5
porepressure_coefficient = 0.0
thermal_expansion = 0
[]
[]
[]
[Materials]
[temperature]
type = PorousFlowTemperature
temperature = temp
[]
[ppss]
type = PorousFlow2PhasePS
phase0_porepressure = pwater
phase1_saturation = sgas
capillary_pressure = pc
[]
[massfrac]
type = PorousFlowMassFraction
mass_fraction_vars = 'massfrac_ph0_sp0 massfrac_ph1_sp0'
[]
[water]
type = PorousFlowSingleComponentFluid
fp = water
phase = 0
[]
[gas]
type = PorousFlowSingleComponentFluid
fp = co2
phase = 1
[]
[porosity_reservoir]
type = PorousFlowPorosity
porosity_zero = 0.2
chemical = true
reference_chemistry = 0.1
initial_mineral_concentrations = 0.1
[]
[permeability_reservoir]
type = PorousFlowPermeabilityConst
permeability = '2e-12 0 0 0 0 0 0 0 0'
[]
[relperm_liquid]
type = PorousFlowRelativePermeabilityCorey
n = 4
phase = 0
s_res = 0.200
sum_s_res = 0.405
[]
[relperm_gas]
type = PorousFlowRelativePermeabilityBC
phase = 1
s_res = 0.205
sum_s_res = 0.405
nw_phase = true
lambda = 2
[]
[thermal_conductivity_reservoir]
type = PorousFlowThermalConductivityIdeal
dry_thermal_conductivity = '0 0 0 0 1.320 0 0 0 0'
wet_thermal_conductivity = '0 0 0 0 3.083 0 0 0 0'
[]
[internal_energy_reservoir]
type = PorousFlowMatrixInternalEnergy
specific_heat_capacity = 1100
density = 2350.0
[]
[elasticity_tensor]
type = ComputeIsotropicElasticityTensor
shear_modulus = 6.0E9
poissons_ratio = 0.2
[]
[strain]
type = ComputeAxisymmetricRZSmallStrain
eigenstrain_names = 'thermal_contribution ini_stress'
[]
[ini_strain]
type = ComputeEigenstrainFromInitialStress
initial_stress = '-12.8E6 0 0 0 -51.3E6 0 0 0 -12.8E6'
eigenstrain_name = ini_stress
[]
[thermal_contribution]
type = ComputeThermalExpansionEigenstrain
temperature = temp
stress_free_temperature = 358
thermal_expansion_coeff = 5E-6
eigenstrain_name = thermal_contribution
[]
[stress]
type = ComputeLinearElasticStress
[]
[eff_fluid_pressure]
type = PorousFlowEffectiveFluidPressure
[]
[vol_strain]
type = PorousFlowVolumetricStrain
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
num_reactions = 1
primary_concentrations = 1.0 # fixed activity
equilibrium_constants_as_log10 = true
equilibrium_constants = eqm_const
primary_activity_coefficients = 1.0 # fixed activity
reactions = 1
kinetic_rate_constant = 1E-6
molar_volume = 1.0
specific_reactive_surface_area = 1.0
activation_energy = 0.0 # no Arrhenius
[]
[mineral_conc]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = 0.1
[]
[predis_nodes]
type = PorousFlowAqueousPreDisChemistry
at_nodes = true
num_reactions = 1
primary_concentrations = 1.0 # fixed activity
equilibrium_constants_as_log10 = true
equilibrium_constants = eqm_const
primary_activity_coefficients = 1.0 # fixed activity
reactions = 1
kinetic_rate_constant = 1E-6
molar_volume = 1.0
specific_reactive_surface_area = 1.0
activation_energy = 0.0 # no Arrhenius
[]
[mineral_conc_nodes]
type = PorousFlowAqueousPreDisMineral
at_nodes = true
initial_concentrations = 0.1
[]
[]
[BCs]
[outer_pressure_fixed]
type = DirichletBC
boundary = right
value = 18.3e6
variable = pwater
[]
[outer_saturation_fixed]
type = DirichletBC
boundary = right
value = 0.0
variable = sgas
[]
[outer_temp_fixed]
type = DirichletBC
boundary = right
value = 358
variable = temp
[]
[fixed_outer_r]
type = DirichletBC
variable = disp_r
value = 0
boundary = right
[]
[co2_injection]
type = PorousFlowSink
boundary = left
variable = sgas
use_mobility = false
use_relperm = false
fluid_phase = 1
flux_function = 'min(t/100.0,1)*(-2.294001475)' # 5.0E5 T/year = 15.855 kg/s, over area of 2Pi*0.1*11
[]
[cold_co2]
type = DirichletBC
boundary = left
variable = temp
value = 294
[]
[cavity_pressure_x]
type = Pressure
boundary = left
variable = disp_r
component = 0
postprocessor = p_bh # note, this lags
use_displaced_mesh = false
[]
[]
[Postprocessors]
[p_bh]
type = PointValue
variable = pwater
point = '0.1 0 0'
execute_on = timestep_begin
use_displaced_mesh = false
[]
[mineral_bh] # mineral concentration (m^3(mineral)/m^3(rock)) at the borehole
type = PointValue
variable = mineral_conc_m3_per_m3
point = '0.1 0 0'
use_displaced_mesh = false
[]
[]
[VectorPostprocessors]
[ptsuss]
type = LineValueSampler
use_displaced_mesh = false
start_point = '0.1 0 0'
end_point = '5000 0 0'
sort_by = x
num_points = 50000
outputs = csv
variable = 'pwater temp sgas disp_r stress_rr stress_tt mineral_conc_m3_per_m3 porosity'
[]
[]
[Preconditioning]
active = 'smp'
[smp]
type = SMP
full = true
#petsc_options = '-snes_converged_reason -ksp_diagonal_scale -ksp_diagonal_scale_fix -ksp_gmres_modifiedgramschmidt -snes_linesearch_monitor'
petsc_options_iname = '-ksp_type -pc_type -sub_pc_type -sub_pc_factor_shift_type -pc_asm_overlap -snes_atol -snes_rtol -snes_max_it'
petsc_options_value = 'gmres asm lu NONZERO 2 1E2 1E-5 50'
[]
[mumps]
type = SMP
full = true
petsc_options = '-snes_converged_reason -ksp_diagonal_scale -ksp_diagonal_scale_fix -ksp_gmres_modifiedgramschmidt -snes_linesearch_monitor'
petsc_options_iname = '-ksp_type -pc_type -pc_factor_mat_solver_package -pc_factor_shift_type -snes_rtol -snes_atol -snes_max_it'
petsc_options_value = 'gmres lu mumps NONZERO 1E-5 1E2 50'
[]
[]
[Executioner]
type = Transient
solve_type = NEWTON
end_time = 1.5768e8
#dtmax = 1e6
[TimeStepper]
type = IterationAdaptiveDT
dt = 1
growth_factor = 1.1
[]
[]
[Outputs]
print_linear_residuals = false
sync_times = '3600 86400 2.592E6 1.5768E8'
perf_graph = true
exodus = true
[csv]
type = CSV
sync_only = true
[]
[]
(modules/porous_flow/examples/thm_example/2D_c.i)
# Two phase, temperature-dependent, with mechanics and chemistry, radial with fine mesh, constant injection of cold co2 into a overburden-reservoir-underburden containing mostly water
# species=0 is water
# species=1 is co2
# phase=0 is liquid, and since massfrac_ph0_sp0 = 1, this is all water
# phase=1 is gas, and since massfrac_ph1_sp0 = 0, this is all co2
#
# The mesh used below has very high resolution, so the simulation takes a long time to complete.
# Some suggested meshes of different resolution:
# nx=50, bias_x=1.2
# nx=100, bias_x=1.1
# nx=200, bias_x=1.05
# nx=400, bias_x=1.02
# nx=1000, bias_x=1.01
# nx=2000, bias_x=1.003
[Mesh]
type = GeneratedMesh
dim = 2
nx = 2000
bias_x = 1.003
xmin = 0.1
xmax = 5000
ny = 1
ymin = 0
ymax = 11
[]
[Problem]
coord_type = RZ
[]
[GlobalParams]
displacements = 'disp_r disp_z'
PorousFlowDictator = dictator
gravity = '0 0 0'
biot_coefficient = 1.0
[]
[Variables]
[pwater]
initial_condition = 18.3e6
[]
[sgas]
initial_condition = 0.0
[]
[temp]
initial_condition = 358
[]
[disp_r]
[]
[]
[AuxVariables]
[rate]
[]
[disp_z]
[]
[massfrac_ph0_sp0]
initial_condition = 1 # all H20 in phase=0
[]
[massfrac_ph1_sp0]
initial_condition = 0 # no H2O in phase=1
[]
[pgas]
family = MONOMIAL
order = FIRST
[]
[swater]
family = MONOMIAL
order = FIRST
[]
[stress_rr]
order = CONSTANT
family = MONOMIAL
[]
[stress_tt]
order = CONSTANT
family = MONOMIAL
[]
[stress_zz]
order = CONSTANT
family = MONOMIAL
[]
[mineral_conc_m3_per_m3]
family = MONOMIAL
order = CONSTANT
initial_condition = 0.1
[]
[eqm_const]
initial_condition = 0.0
[]
[porosity]
family = MONOMIAL
order = CONSTANT
[]
[]
[Kernels]
[mass_water_dot]
type = PorousFlowMassTimeDerivative
fluid_component = 0
use_displaced_mesh = false
variable = pwater
[]
[flux_water]
type = PorousFlowAdvectiveFlux
fluid_component = 0
use_displaced_mesh = false
variable = pwater
[]
[mass_co2_dot]
type = PorousFlowMassTimeDerivative
fluid_component = 1
use_displaced_mesh = false
variable = sgas
[]
[flux_co2]
type = PorousFlowAdvectiveFlux
fluid_component = 1
use_displaced_mesh = false
variable = sgas
[]
[energy_dot]
type = PorousFlowEnergyTimeDerivative
use_displaced_mesh = false
variable = temp
[]
[advection]
type = PorousFlowHeatAdvection
use_displaced_mesh = false
variable = temp
[]
[conduction]
type = PorousFlowExponentialDecay
use_displaced_mesh = false
variable = temp
reference = 358
rate = rate
[]
[grad_stress_r]
type = StressDivergenceRZTensors
temperature = temp
eigenstrain_names = thermal_contribution
variable = disp_r
use_displaced_mesh = false
component = 0
[]
[poro_r]
type = PorousFlowEffectiveStressCoupling
variable = disp_r
use_displaced_mesh = false
component = 0
[]
[]
[AuxKernels]
[rate]
type = FunctionAux
variable = rate
execute_on = timestep_begin
function = decay_rate
[]
[pgas]
type = PorousFlowPropertyAux
property = pressure
phase = 1
variable = pgas
[]
[swater]
type = PorousFlowPropertyAux
property = saturation
phase = 0
variable = swater
[]
[stress_rr]
type = RankTwoAux
rank_two_tensor = stress
variable = stress_rr
index_i = 0
index_j = 0
[]
[stress_tt]
type = RankTwoAux
rank_two_tensor = stress
variable = stress_tt
index_i = 2
index_j = 2
[]
[stress_zz]
type = RankTwoAux
rank_two_tensor = stress
variable = stress_zz
index_i = 1
index_j = 1
[]
[mineral]
type = PorousFlowPropertyAux
property = mineral_concentration
mineral_species = 0
variable = mineral_conc_m3_per_m3
[]
[eqm_const_auxk]
type = ParsedAux
variable = eqm_const
args = temp
function = '(358 - temp) / (358 - 294)'
[]
[porosity_auxk]
type = PorousFlowPropertyAux
property = porosity
variable = porosity
[]
[]
[Functions]
[decay_rate]
# Eqn(26) of the first paper of LaForce et al.
# Ka * (rho C)_a = 10056886.914
# h = 11
type = ParsedFunction
value = 'sqrt(10056886.914/t)/11.0'
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'temp pwater sgas disp_r'
number_fluid_phases = 2
number_fluid_components = 2
number_aqueous_kinetic = 1
aqueous_phase_number = 1
[]
[pc]
type = PorousFlowCapillaryPressureConst
pc = 0
[]
[]
[Modules]
[FluidProperties]
[water]
type = SimpleFluidProperties
bulk_modulus = 2.27e14
density0 = 970.0
viscosity = 0.3394e-3
cv = 4149.0
cp = 4149.0
porepressure_coefficient = 0.0
thermal_expansion = 0
[]
[co2]
type = SimpleFluidProperties
bulk_modulus = 2.27e14
density0 = 516.48
viscosity = 0.0393e-3
cv = 2920.5
cp = 2920.5
porepressure_coefficient = 0.0
thermal_expansion = 0
[]
[]
[]
[Materials]
[temperature]
type = PorousFlowTemperature
temperature = temp
[]
[ppss]
type = PorousFlow2PhasePS
phase0_porepressure = pwater
phase1_saturation = sgas
capillary_pressure = pc
[]
[massfrac]
type = PorousFlowMassFraction
mass_fraction_vars = 'massfrac_ph0_sp0 massfrac_ph1_sp0'
[]
[water]
type = PorousFlowSingleComponentFluid
fp = water
phase = 0
[]
[gas]
type = PorousFlowSingleComponentFluid
fp = co2
phase = 1
[]
[porosity_reservoir]
type = PorousFlowPorosity
porosity_zero = 0.2
chemical = true
reference_chemistry = 0.1
initial_mineral_concentrations = 0.1
[]
[permeability_reservoir]
type = PorousFlowPermeabilityConst
permeability = '2e-12 0 0 0 0 0 0 0 0'
[]
[relperm_liquid]
type = PorousFlowRelativePermeabilityCorey
n = 4
phase = 0
s_res = 0.200
sum_s_res = 0.405
[]
[relperm_gas]
type = PorousFlowRelativePermeabilityBC
phase = 1
s_res = 0.205
sum_s_res = 0.405
nw_phase = true
lambda = 2
[]
[thermal_conductivity_reservoir]
type = PorousFlowThermalConductivityIdeal
dry_thermal_conductivity = '0 0 0 0 1.320 0 0 0 0'
wet_thermal_conductivity = '0 0 0 0 3.083 0 0 0 0'
[]
[internal_energy_reservoir]
type = PorousFlowMatrixInternalEnergy
specific_heat_capacity = 1100
density = 2350.0
[]
[elasticity_tensor]
type = ComputeIsotropicElasticityTensor
shear_modulus = 6.0E9
poissons_ratio = 0.2
[]
[strain]
type = ComputeAxisymmetricRZSmallStrain
eigenstrain_names = 'thermal_contribution ini_stress'
[]
[ini_strain]
type = ComputeEigenstrainFromInitialStress
initial_stress = '-12.8E6 0 0 0 -51.3E6 0 0 0 -12.8E6'
eigenstrain_name = ini_stress
[]
[thermal_contribution]
type = ComputeThermalExpansionEigenstrain
temperature = temp
stress_free_temperature = 358
thermal_expansion_coeff = 5E-6
eigenstrain_name = thermal_contribution
[]
[stress]
type = ComputeLinearElasticStress
[]
[eff_fluid_pressure]
type = PorousFlowEffectiveFluidPressure
[]
[vol_strain]
type = PorousFlowVolumetricStrain
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
num_reactions = 1
primary_concentrations = 1.0 # fixed activity
equilibrium_constants_as_log10 = true
equilibrium_constants = eqm_const
primary_activity_coefficients = 1.0 # fixed activity
reactions = 1
kinetic_rate_constant = 1E-6
molar_volume = 1.0
specific_reactive_surface_area = 1.0
activation_energy = 0.0 # no Arrhenius
[]
[mineral_conc]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = 0.1
[]
[predis_nodes]
type = PorousFlowAqueousPreDisChemistry
at_nodes = true
num_reactions = 1
primary_concentrations = 1.0 # fixed activity
equilibrium_constants_as_log10 = true
equilibrium_constants = eqm_const
primary_activity_coefficients = 1.0 # fixed activity
reactions = 1
kinetic_rate_constant = 1E-6
molar_volume = 1.0
specific_reactive_surface_area = 1.0
activation_energy = 0.0 # no Arrhenius
[]
[mineral_conc_nodes]
type = PorousFlowAqueousPreDisMineral
at_nodes = true
initial_concentrations = 0.1
[]
[]
[BCs]
[outer_pressure_fixed]
type = DirichletBC
boundary = right
value = 18.3e6
variable = pwater
[]
[outer_saturation_fixed]
type = DirichletBC
boundary = right
value = 0.0
variable = sgas
[]
[outer_temp_fixed]
type = DirichletBC
boundary = right
value = 358
variable = temp
[]
[fixed_outer_r]
type = DirichletBC
variable = disp_r
value = 0
boundary = right
[]
[co2_injection]
type = PorousFlowSink
boundary = left
variable = sgas
use_mobility = false
use_relperm = false
fluid_phase = 1
flux_function = 'min(t/100.0,1)*(-2.294001475)' # 5.0E5 T/year = 15.855 kg/s, over area of 2Pi*0.1*11
[]
[cold_co2]
type = DirichletBC
boundary = left
variable = temp
value = 294
[]
[cavity_pressure_x]
type = Pressure
boundary = left
variable = disp_r
component = 0
postprocessor = p_bh # note, this lags
use_displaced_mesh = false
[]
[]
[Postprocessors]
[p_bh]
type = PointValue
variable = pwater
point = '0.1 0 0'
execute_on = timestep_begin
use_displaced_mesh = false
[]
[mineral_bh] # mineral concentration (m^3(mineral)/m^3(rock)) at the borehole
type = PointValue
variable = mineral_conc_m3_per_m3
point = '0.1 0 0'
use_displaced_mesh = false
[]
[]
[VectorPostprocessors]
[ptsuss]
type = LineValueSampler
use_displaced_mesh = false
start_point = '0.1 0 0'
end_point = '5000 0 0'
sort_by = x
num_points = 50000
outputs = csv
variable = 'pwater temp sgas disp_r stress_rr stress_tt mineral_conc_m3_per_m3 porosity'
[]
[]
[Preconditioning]
active = 'smp'
[smp]
type = SMP
full = true
#petsc_options = '-snes_converged_reason -ksp_diagonal_scale -ksp_diagonal_scale_fix -ksp_gmres_modifiedgramschmidt -snes_linesearch_monitor'
petsc_options_iname = '-ksp_type -pc_type -sub_pc_type -sub_pc_factor_shift_type -pc_asm_overlap -snes_atol -snes_rtol -snes_max_it'
petsc_options_value = 'gmres asm lu NONZERO 2 1E2 1E-5 50'
[]
[mumps]
type = SMP
full = true
petsc_options = '-snes_converged_reason -ksp_diagonal_scale -ksp_diagonal_scale_fix -ksp_gmres_modifiedgramschmidt -snes_linesearch_monitor'
petsc_options_iname = '-ksp_type -pc_type -pc_factor_mat_solver_package -pc_factor_shift_type -snes_rtol -snes_atol -snes_max_it'
petsc_options_value = 'gmres lu mumps NONZERO 1E-5 1E2 50'
[]
[]
[Executioner]
type = Transient
solve_type = NEWTON
end_time = 1.5768e8
#dtmax = 1e6
[TimeStepper]
type = IterationAdaptiveDT
dt = 1
growth_factor = 1.1
[]
[]
[Outputs]
print_linear_residuals = false
sync_times = '3600 86400 2.592E6 1.5768E8'
perf_graph = true
exodus = true
[csv]
type = CSV
sync_only = true
[]
[]
(modules/porous_flow/examples/thm_example/2D_c.i)
# Two phase, temperature-dependent, with mechanics and chemistry, radial with fine mesh, constant injection of cold co2 into a overburden-reservoir-underburden containing mostly water
# species=0 is water
# species=1 is co2
# phase=0 is liquid, and since massfrac_ph0_sp0 = 1, this is all water
# phase=1 is gas, and since massfrac_ph1_sp0 = 0, this is all co2
#
# The mesh used below has very high resolution, so the simulation takes a long time to complete.
# Some suggested meshes of different resolution:
# nx=50, bias_x=1.2
# nx=100, bias_x=1.1
# nx=200, bias_x=1.05
# nx=400, bias_x=1.02
# nx=1000, bias_x=1.01
# nx=2000, bias_x=1.003
[Mesh]
type = GeneratedMesh
dim = 2
nx = 2000
bias_x = 1.003
xmin = 0.1
xmax = 5000
ny = 1
ymin = 0
ymax = 11
[]
[Problem]
coord_type = RZ
[]
[GlobalParams]
displacements = 'disp_r disp_z'
PorousFlowDictator = dictator
gravity = '0 0 0'
biot_coefficient = 1.0
[]
[Variables]
[pwater]
initial_condition = 18.3e6
[]
[sgas]
initial_condition = 0.0
[]
[temp]
initial_condition = 358
[]
[disp_r]
[]
[]
[AuxVariables]
[rate]
[]
[disp_z]
[]
[massfrac_ph0_sp0]
initial_condition = 1 # all H20 in phase=0
[]
[massfrac_ph1_sp0]
initial_condition = 0 # no H2O in phase=1
[]
[pgas]
family = MONOMIAL
order = FIRST
[]
[swater]
family = MONOMIAL
order = FIRST
[]
[stress_rr]
order = CONSTANT
family = MONOMIAL
[]
[stress_tt]
order = CONSTANT
family = MONOMIAL
[]
[stress_zz]
order = CONSTANT
family = MONOMIAL
[]
[mineral_conc_m3_per_m3]
family = MONOMIAL
order = CONSTANT
initial_condition = 0.1
[]
[eqm_const]
initial_condition = 0.0
[]
[porosity]
family = MONOMIAL
order = CONSTANT
[]
[]
[Kernels]
[mass_water_dot]
type = PorousFlowMassTimeDerivative
fluid_component = 0
use_displaced_mesh = false
variable = pwater
[]
[flux_water]
type = PorousFlowAdvectiveFlux
fluid_component = 0
use_displaced_mesh = false
variable = pwater
[]
[mass_co2_dot]
type = PorousFlowMassTimeDerivative
fluid_component = 1
use_displaced_mesh = false
variable = sgas
[]
[flux_co2]
type = PorousFlowAdvectiveFlux
fluid_component = 1
use_displaced_mesh = false
variable = sgas
[]
[energy_dot]
type = PorousFlowEnergyTimeDerivative
use_displaced_mesh = false
variable = temp
[]
[advection]
type = PorousFlowHeatAdvection
use_displaced_mesh = false
variable = temp
[]
[conduction]
type = PorousFlowExponentialDecay
use_displaced_mesh = false
variable = temp
reference = 358
rate = rate
[]
[grad_stress_r]
type = StressDivergenceRZTensors
temperature = temp
eigenstrain_names = thermal_contribution
variable = disp_r
use_displaced_mesh = false
component = 0
[]
[poro_r]
type = PorousFlowEffectiveStressCoupling
variable = disp_r
use_displaced_mesh = false
component = 0
[]
[]
[AuxKernels]
[rate]
type = FunctionAux
variable = rate
execute_on = timestep_begin
function = decay_rate
[]
[pgas]
type = PorousFlowPropertyAux
property = pressure
phase = 1
variable = pgas
[]
[swater]
type = PorousFlowPropertyAux
property = saturation
phase = 0
variable = swater
[]
[stress_rr]
type = RankTwoAux
rank_two_tensor = stress
variable = stress_rr
index_i = 0
index_j = 0
[]
[stress_tt]
type = RankTwoAux
rank_two_tensor = stress
variable = stress_tt
index_i = 2
index_j = 2
[]
[stress_zz]
type = RankTwoAux
rank_two_tensor = stress
variable = stress_zz
index_i = 1
index_j = 1
[]
[mineral]
type = PorousFlowPropertyAux
property = mineral_concentration
mineral_species = 0
variable = mineral_conc_m3_per_m3
[]
[eqm_const_auxk]
type = ParsedAux
variable = eqm_const
args = temp
function = '(358 - temp) / (358 - 294)'
[]
[porosity_auxk]
type = PorousFlowPropertyAux
property = porosity
variable = porosity
[]
[]
[Functions]
[decay_rate]
# Eqn(26) of the first paper of LaForce et al.
# Ka * (rho C)_a = 10056886.914
# h = 11
type = ParsedFunction
value = 'sqrt(10056886.914/t)/11.0'
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'temp pwater sgas disp_r'
number_fluid_phases = 2
number_fluid_components = 2
number_aqueous_kinetic = 1
aqueous_phase_number = 1
[]
[pc]
type = PorousFlowCapillaryPressureConst
pc = 0
[]
[]
[Modules]
[FluidProperties]
[water]
type = SimpleFluidProperties
bulk_modulus = 2.27e14
density0 = 970.0
viscosity = 0.3394e-3
cv = 4149.0
cp = 4149.0
porepressure_coefficient = 0.0
thermal_expansion = 0
[]
[co2]
type = SimpleFluidProperties
bulk_modulus = 2.27e14
density0 = 516.48
viscosity = 0.0393e-3
cv = 2920.5
cp = 2920.5
porepressure_coefficient = 0.0
thermal_expansion = 0
[]
[]
[]
[Materials]
[temperature]
type = PorousFlowTemperature
temperature = temp
[]
[ppss]
type = PorousFlow2PhasePS
phase0_porepressure = pwater
phase1_saturation = sgas
capillary_pressure = pc
[]
[massfrac]
type = PorousFlowMassFraction
mass_fraction_vars = 'massfrac_ph0_sp0 massfrac_ph1_sp0'
[]
[water]
type = PorousFlowSingleComponentFluid
fp = water
phase = 0
[]
[gas]
type = PorousFlowSingleComponentFluid
fp = co2
phase = 1
[]
[porosity_reservoir]
type = PorousFlowPorosity
porosity_zero = 0.2
chemical = true
reference_chemistry = 0.1
initial_mineral_concentrations = 0.1
[]
[permeability_reservoir]
type = PorousFlowPermeabilityConst
permeability = '2e-12 0 0 0 0 0 0 0 0'
[]
[relperm_liquid]
type = PorousFlowRelativePermeabilityCorey
n = 4
phase = 0
s_res = 0.200
sum_s_res = 0.405
[]
[relperm_gas]
type = PorousFlowRelativePermeabilityBC
phase = 1
s_res = 0.205
sum_s_res = 0.405
nw_phase = true
lambda = 2
[]
[thermal_conductivity_reservoir]
type = PorousFlowThermalConductivityIdeal
dry_thermal_conductivity = '0 0 0 0 1.320 0 0 0 0'
wet_thermal_conductivity = '0 0 0 0 3.083 0 0 0 0'
[]
[internal_energy_reservoir]
type = PorousFlowMatrixInternalEnergy
specific_heat_capacity = 1100
density = 2350.0
[]
[elasticity_tensor]
type = ComputeIsotropicElasticityTensor
shear_modulus = 6.0E9
poissons_ratio = 0.2
[]
[strain]
type = ComputeAxisymmetricRZSmallStrain
eigenstrain_names = 'thermal_contribution ini_stress'
[]
[ini_strain]
type = ComputeEigenstrainFromInitialStress
initial_stress = '-12.8E6 0 0 0 -51.3E6 0 0 0 -12.8E6'
eigenstrain_name = ini_stress
[]
[thermal_contribution]
type = ComputeThermalExpansionEigenstrain
temperature = temp
stress_free_temperature = 358
thermal_expansion_coeff = 5E-6
eigenstrain_name = thermal_contribution
[]
[stress]
type = ComputeLinearElasticStress
[]
[eff_fluid_pressure]
type = PorousFlowEffectiveFluidPressure
[]
[vol_strain]
type = PorousFlowVolumetricStrain
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
num_reactions = 1
primary_concentrations = 1.0 # fixed activity
equilibrium_constants_as_log10 = true
equilibrium_constants = eqm_const
primary_activity_coefficients = 1.0 # fixed activity
reactions = 1
kinetic_rate_constant = 1E-6
molar_volume = 1.0
specific_reactive_surface_area = 1.0
activation_energy = 0.0 # no Arrhenius
[]
[mineral_conc]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = 0.1
[]
[predis_nodes]
type = PorousFlowAqueousPreDisChemistry
at_nodes = true
num_reactions = 1
primary_concentrations = 1.0 # fixed activity
equilibrium_constants_as_log10 = true
equilibrium_constants = eqm_const
primary_activity_coefficients = 1.0 # fixed activity
reactions = 1
kinetic_rate_constant = 1E-6
molar_volume = 1.0
specific_reactive_surface_area = 1.0
activation_energy = 0.0 # no Arrhenius
[]
[mineral_conc_nodes]
type = PorousFlowAqueousPreDisMineral
at_nodes = true
initial_concentrations = 0.1
[]
[]
[BCs]
[outer_pressure_fixed]
type = DirichletBC
boundary = right
value = 18.3e6
variable = pwater
[]
[outer_saturation_fixed]
type = DirichletBC
boundary = right
value = 0.0
variable = sgas
[]
[outer_temp_fixed]
type = DirichletBC
boundary = right
value = 358
variable = temp
[]
[fixed_outer_r]
type = DirichletBC
variable = disp_r
value = 0
boundary = right
[]
[co2_injection]
type = PorousFlowSink
boundary = left
variable = sgas
use_mobility = false
use_relperm = false
fluid_phase = 1
flux_function = 'min(t/100.0,1)*(-2.294001475)' # 5.0E5 T/year = 15.855 kg/s, over area of 2Pi*0.1*11
[]
[cold_co2]
type = DirichletBC
boundary = left
variable = temp
value = 294
[]
[cavity_pressure_x]
type = Pressure
boundary = left
variable = disp_r
component = 0
postprocessor = p_bh # note, this lags
use_displaced_mesh = false
[]
[]
[Postprocessors]
[p_bh]
type = PointValue
variable = pwater
point = '0.1 0 0'
execute_on = timestep_begin
use_displaced_mesh = false
[]
[mineral_bh] # mineral concentration (m^3(mineral)/m^3(rock)) at the borehole
type = PointValue
variable = mineral_conc_m3_per_m3
point = '0.1 0 0'
use_displaced_mesh = false
[]
[]
[VectorPostprocessors]
[ptsuss]
type = LineValueSampler
use_displaced_mesh = false
start_point = '0.1 0 0'
end_point = '5000 0 0'
sort_by = x
num_points = 50000
outputs = csv
variable = 'pwater temp sgas disp_r stress_rr stress_tt mineral_conc_m3_per_m3 porosity'
[]
[]
[Preconditioning]
active = 'smp'
[smp]
type = SMP
full = true
#petsc_options = '-snes_converged_reason -ksp_diagonal_scale -ksp_diagonal_scale_fix -ksp_gmres_modifiedgramschmidt -snes_linesearch_monitor'
petsc_options_iname = '-ksp_type -pc_type -sub_pc_type -sub_pc_factor_shift_type -pc_asm_overlap -snes_atol -snes_rtol -snes_max_it'
petsc_options_value = 'gmres asm lu NONZERO 2 1E2 1E-5 50'
[]
[mumps]
type = SMP
full = true
petsc_options = '-snes_converged_reason -ksp_diagonal_scale -ksp_diagonal_scale_fix -ksp_gmres_modifiedgramschmidt -snes_linesearch_monitor'
petsc_options_iname = '-ksp_type -pc_type -pc_factor_mat_solver_package -pc_factor_shift_type -snes_rtol -snes_atol -snes_max_it'
petsc_options_value = 'gmres lu mumps NONZERO 1E-5 1E2 50'
[]
[]
[Executioner]
type = Transient
solve_type = NEWTON
end_time = 1.5768e8
#dtmax = 1e6
[TimeStepper]
type = IterationAdaptiveDT
dt = 1
growth_factor = 1.1
[]
[]
[Outputs]
print_linear_residuals = false
sync_times = '3600 86400 2.592E6 1.5768E8'
perf_graph = true
exodus = true
[csv]
type = CSV
sync_only = true
[]
[]
(modules/porous_flow/examples/thm_example/2D_c.i)
# Two phase, temperature-dependent, with mechanics and chemistry, radial with fine mesh, constant injection of cold co2 into a overburden-reservoir-underburden containing mostly water
# species=0 is water
# species=1 is co2
# phase=0 is liquid, and since massfrac_ph0_sp0 = 1, this is all water
# phase=1 is gas, and since massfrac_ph1_sp0 = 0, this is all co2
#
# The mesh used below has very high resolution, so the simulation takes a long time to complete.
# Some suggested meshes of different resolution:
# nx=50, bias_x=1.2
# nx=100, bias_x=1.1
# nx=200, bias_x=1.05
# nx=400, bias_x=1.02
# nx=1000, bias_x=1.01
# nx=2000, bias_x=1.003
[Mesh]
type = GeneratedMesh
dim = 2
nx = 2000
bias_x = 1.003
xmin = 0.1
xmax = 5000
ny = 1
ymin = 0
ymax = 11
[]
[Problem]
coord_type = RZ
[]
[GlobalParams]
displacements = 'disp_r disp_z'
PorousFlowDictator = dictator
gravity = '0 0 0'
biot_coefficient = 1.0
[]
[Variables]
[pwater]
initial_condition = 18.3e6
[]
[sgas]
initial_condition = 0.0
[]
[temp]
initial_condition = 358
[]
[disp_r]
[]
[]
[AuxVariables]
[rate]
[]
[disp_z]
[]
[massfrac_ph0_sp0]
initial_condition = 1 # all H20 in phase=0
[]
[massfrac_ph1_sp0]
initial_condition = 0 # no H2O in phase=1
[]
[pgas]
family = MONOMIAL
order = FIRST
[]
[swater]
family = MONOMIAL
order = FIRST
[]
[stress_rr]
order = CONSTANT
family = MONOMIAL
[]
[stress_tt]
order = CONSTANT
family = MONOMIAL
[]
[stress_zz]
order = CONSTANT
family = MONOMIAL
[]
[mineral_conc_m3_per_m3]
family = MONOMIAL
order = CONSTANT
initial_condition = 0.1
[]
[eqm_const]
initial_condition = 0.0
[]
[porosity]
family = MONOMIAL
order = CONSTANT
[]
[]
[Kernels]
[mass_water_dot]
type = PorousFlowMassTimeDerivative
fluid_component = 0
use_displaced_mesh = false
variable = pwater
[]
[flux_water]
type = PorousFlowAdvectiveFlux
fluid_component = 0
use_displaced_mesh = false
variable = pwater
[]
[mass_co2_dot]
type = PorousFlowMassTimeDerivative
fluid_component = 1
use_displaced_mesh = false
variable = sgas
[]
[flux_co2]
type = PorousFlowAdvectiveFlux
fluid_component = 1
use_displaced_mesh = false
variable = sgas
[]
[energy_dot]
type = PorousFlowEnergyTimeDerivative
use_displaced_mesh = false
variable = temp
[]
[advection]
type = PorousFlowHeatAdvection
use_displaced_mesh = false
variable = temp
[]
[conduction]
type = PorousFlowExponentialDecay
use_displaced_mesh = false
variable = temp
reference = 358
rate = rate
[]
[grad_stress_r]
type = StressDivergenceRZTensors
temperature = temp
eigenstrain_names = thermal_contribution
variable = disp_r
use_displaced_mesh = false
component = 0
[]
[poro_r]
type = PorousFlowEffectiveStressCoupling
variable = disp_r
use_displaced_mesh = false
component = 0
[]
[]
[AuxKernels]
[rate]
type = FunctionAux
variable = rate
execute_on = timestep_begin
function = decay_rate
[]
[pgas]
type = PorousFlowPropertyAux
property = pressure
phase = 1
variable = pgas
[]
[swater]
type = PorousFlowPropertyAux
property = saturation
phase = 0
variable = swater
[]
[stress_rr]
type = RankTwoAux
rank_two_tensor = stress
variable = stress_rr
index_i = 0
index_j = 0
[]
[stress_tt]
type = RankTwoAux
rank_two_tensor = stress
variable = stress_tt
index_i = 2
index_j = 2
[]
[stress_zz]
type = RankTwoAux
rank_two_tensor = stress
variable = stress_zz
index_i = 1
index_j = 1
[]
[mineral]
type = PorousFlowPropertyAux
property = mineral_concentration
mineral_species = 0
variable = mineral_conc_m3_per_m3
[]
[eqm_const_auxk]
type = ParsedAux
variable = eqm_const
args = temp
function = '(358 - temp) / (358 - 294)'
[]
[porosity_auxk]
type = PorousFlowPropertyAux
property = porosity
variable = porosity
[]
[]
[Functions]
[decay_rate]
# Eqn(26) of the first paper of LaForce et al.
# Ka * (rho C)_a = 10056886.914
# h = 11
type = ParsedFunction
value = 'sqrt(10056886.914/t)/11.0'
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'temp pwater sgas disp_r'
number_fluid_phases = 2
number_fluid_components = 2
number_aqueous_kinetic = 1
aqueous_phase_number = 1
[]
[pc]
type = PorousFlowCapillaryPressureConst
pc = 0
[]
[]
[Modules]
[FluidProperties]
[water]
type = SimpleFluidProperties
bulk_modulus = 2.27e14
density0 = 970.0
viscosity = 0.3394e-3
cv = 4149.0
cp = 4149.0
porepressure_coefficient = 0.0
thermal_expansion = 0
[]
[co2]
type = SimpleFluidProperties
bulk_modulus = 2.27e14
density0 = 516.48
viscosity = 0.0393e-3
cv = 2920.5
cp = 2920.5
porepressure_coefficient = 0.0
thermal_expansion = 0
[]
[]
[]
[Materials]
[temperature]
type = PorousFlowTemperature
temperature = temp
[]
[ppss]
type = PorousFlow2PhasePS
phase0_porepressure = pwater
phase1_saturation = sgas
capillary_pressure = pc
[]
[massfrac]
type = PorousFlowMassFraction
mass_fraction_vars = 'massfrac_ph0_sp0 massfrac_ph1_sp0'
[]
[water]
type = PorousFlowSingleComponentFluid
fp = water
phase = 0
[]
[gas]
type = PorousFlowSingleComponentFluid
fp = co2
phase = 1
[]
[porosity_reservoir]
type = PorousFlowPorosity
porosity_zero = 0.2
chemical = true
reference_chemistry = 0.1
initial_mineral_concentrations = 0.1
[]
[permeability_reservoir]
type = PorousFlowPermeabilityConst
permeability = '2e-12 0 0 0 0 0 0 0 0'
[]
[relperm_liquid]
type = PorousFlowRelativePermeabilityCorey
n = 4
phase = 0
s_res = 0.200
sum_s_res = 0.405
[]
[relperm_gas]
type = PorousFlowRelativePermeabilityBC
phase = 1
s_res = 0.205
sum_s_res = 0.405
nw_phase = true
lambda = 2
[]
[thermal_conductivity_reservoir]
type = PorousFlowThermalConductivityIdeal
dry_thermal_conductivity = '0 0 0 0 1.320 0 0 0 0'
wet_thermal_conductivity = '0 0 0 0 3.083 0 0 0 0'
[]
[internal_energy_reservoir]
type = PorousFlowMatrixInternalEnergy
specific_heat_capacity = 1100
density = 2350.0
[]
[elasticity_tensor]
type = ComputeIsotropicElasticityTensor
shear_modulus = 6.0E9
poissons_ratio = 0.2
[]
[strain]
type = ComputeAxisymmetricRZSmallStrain
eigenstrain_names = 'thermal_contribution ini_stress'
[]
[ini_strain]
type = ComputeEigenstrainFromInitialStress
initial_stress = '-12.8E6 0 0 0 -51.3E6 0 0 0 -12.8E6'
eigenstrain_name = ini_stress
[]
[thermal_contribution]
type = ComputeThermalExpansionEigenstrain
temperature = temp
stress_free_temperature = 358
thermal_expansion_coeff = 5E-6
eigenstrain_name = thermal_contribution
[]
[stress]
type = ComputeLinearElasticStress
[]
[eff_fluid_pressure]
type = PorousFlowEffectiveFluidPressure
[]
[vol_strain]
type = PorousFlowVolumetricStrain
[]
[predis]
type = PorousFlowAqueousPreDisChemistry
num_reactions = 1
primary_concentrations = 1.0 # fixed activity
equilibrium_constants_as_log10 = true
equilibrium_constants = eqm_const
primary_activity_coefficients = 1.0 # fixed activity
reactions = 1
kinetic_rate_constant = 1E-6
molar_volume = 1.0
specific_reactive_surface_area = 1.0
activation_energy = 0.0 # no Arrhenius
[]
[mineral_conc]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = 0.1
[]
[predis_nodes]
type = PorousFlowAqueousPreDisChemistry
at_nodes = true
num_reactions = 1
primary_concentrations = 1.0 # fixed activity
equilibrium_constants_as_log10 = true
equilibrium_constants = eqm_const
primary_activity_coefficients = 1.0 # fixed activity
reactions = 1
kinetic_rate_constant = 1E-6
molar_volume = 1.0
specific_reactive_surface_area = 1.0
activation_energy = 0.0 # no Arrhenius
[]
[mineral_conc_nodes]
type = PorousFlowAqueousPreDisMineral
at_nodes = true
initial_concentrations = 0.1
[]
[]
[BCs]
[outer_pressure_fixed]
type = DirichletBC
boundary = right
value = 18.3e6
variable = pwater
[]
[outer_saturation_fixed]
type = DirichletBC
boundary = right
value = 0.0
variable = sgas
[]
[outer_temp_fixed]
type = DirichletBC
boundary = right
value = 358
variable = temp
[]
[fixed_outer_r]
type = DirichletBC
variable = disp_r
value = 0
boundary = right
[]
[co2_injection]
type = PorousFlowSink
boundary = left
variable = sgas
use_mobility = false
use_relperm = false
fluid_phase = 1
flux_function = 'min(t/100.0,1)*(-2.294001475)' # 5.0E5 T/year = 15.855 kg/s, over area of 2Pi*0.1*11
[]
[cold_co2]
type = DirichletBC
boundary = left
variable = temp
value = 294
[]
[cavity_pressure_x]
type = Pressure
boundary = left
variable = disp_r
component = 0
postprocessor = p_bh # note, this lags
use_displaced_mesh = false
[]
[]
[Postprocessors]
[p_bh]
type = PointValue
variable = pwater
point = '0.1 0 0'
execute_on = timestep_begin
use_displaced_mesh = false
[]
[mineral_bh] # mineral concentration (m^3(mineral)/m^3(rock)) at the borehole
type = PointValue
variable = mineral_conc_m3_per_m3
point = '0.1 0 0'
use_displaced_mesh = false
[]
[]
[VectorPostprocessors]
[ptsuss]
type = LineValueSampler
use_displaced_mesh = false
start_point = '0.1 0 0'
end_point = '5000 0 0'
sort_by = x
num_points = 50000
outputs = csv
variable = 'pwater temp sgas disp_r stress_rr stress_tt mineral_conc_m3_per_m3 porosity'
[]
[]
[Preconditioning]
active = 'smp'
[smp]
type = SMP
full = true
#petsc_options = '-snes_converged_reason -ksp_diagonal_scale -ksp_diagonal_scale_fix -ksp_gmres_modifiedgramschmidt -snes_linesearch_monitor'
petsc_options_iname = '-ksp_type -pc_type -sub_pc_type -sub_pc_factor_shift_type -pc_asm_overlap -snes_atol -snes_rtol -snes_max_it'
petsc_options_value = 'gmres asm lu NONZERO 2 1E2 1E-5 50'
[]
[mumps]
type = SMP
full = true
petsc_options = '-snes_converged_reason -ksp_diagonal_scale -ksp_diagonal_scale_fix -ksp_gmres_modifiedgramschmidt -snes_linesearch_monitor'
petsc_options_iname = '-ksp_type -pc_type -pc_factor_mat_solver_package -pc_factor_shift_type -snes_rtol -snes_atol -snes_max_it'
petsc_options_value = 'gmres lu mumps NONZERO 1E-5 1E2 50'
[]
[]
[Executioner]
type = Transient
solve_type = NEWTON
end_time = 1.5768e8
#dtmax = 1e6
[TimeStepper]
type = IterationAdaptiveDT
dt = 1
growth_factor = 1.1
[]
[]
[Outputs]
print_linear_residuals = false
sync_times = '3600 86400 2.592E6 1.5768E8'
perf_graph = true
exodus = true
[csv]
type = CSV
sync_only = true
[]
[]