OGS
1d_decay_chain_smaller_ts.prj
<
OpenGeoSysProject
>
<
meshes
>
<
mesh
>1d_decay_chain.vtu</mesh>
<
mesh
>1d_decay_chain_upstream.vtu</mesh>
<
mesh
>1d_decay_chain_ReactiveDomain.vtu</mesh>
</meshes>
<
processes
>
<
process
>
<
name
>hc</name>
<
type
>
ComponentTransport
</type>
<
integration_order
>2</integration_order>
<
coupling_scheme
>staggered</coupling_scheme>
<
process_variables
>
<
concentration
>H</concentration>
<
concentration
>[Cm-247]</concentration>
<
concentration
>[Am-243]</concentration>
<
concentration
>[Pu-239]</concentration>
<
concentration
>[U-235]</concentration>
<
concentration
>[Pa-231]</concentration>
<
concentration
>[Ac-227]</concentration>
<
pressure
>pressure</pressure>
</process_variables>
<
specific_body_force
>0</specific_body_force>
</process>
</processes>
<
media
>
<
medium
id
="0">
<
phases
>
<
phase
>
<
type
>
AqueousLiquid
</type>
<
components
>
<
component
>
<
name
>H</name>
<
properties
>
<property>
<name>pore_diffusion</name>
<type>
Constant
</type>
<value>1e-11</value>
</property>
<property>
<name>retardation_factor</name>
<type>
Constant
</type>
<value>1</value>
</property>
<property>
<name>decay_rate</name>
<type>
Constant
</type>
<value>0</value>
</property>
</properties>
</component>
<
component
>
<
name
>[Cm-247]</name>
<
properties
>
<property>
<name>pore_diffusion</name>
<type>
Constant
</type>
<value>1e-11</value>
</property>
<property>
<name>retardation_factor</name>
<type>
Constant
</type>
<value>1</value>
</property>
<property>
<name>decay_rate</name>
<type>
Constant
</type>
<value>0</value>
</property>
</properties>
</component>
<
component
>
<
name
>[Am-243]</name>
<
properties
>
<property>
<name>pore_diffusion</name>
<type>
Constant
</type>
<value>1e-11</value>
</property>
<property>
<name>retardation_factor</name>
<type>
Constant
</type>
<value>1</value>
</property>
<property>
<name>decay_rate</name>
<type>
Constant
</type>
<value>0</value>
</property>
</properties>
</component>
<
component
>
<
name
>[Pu-239]</name>
<
properties
>
<property>
<name>pore_diffusion</name>
<type>
Constant
</type>
<value>1e-11</value>
</property>
<property>
<name>retardation_factor</name>
<type>
Constant
</type>
<value>1</value>
</property>
<property>
<name>decay_rate</name>
<type>
Constant
</type>
<value>0</value>
</property>
</properties>
</component>
<
component
>
<
name
>[U-235]</name>
<
properties
>
<property>
<name>pore_diffusion</name>
<type>
Constant
</type>
<value>1e-11</value>
</property>
<property>
<name>retardation_factor</name>
<type>
Constant
</type>
<value>1</value>
</property>
<property>
<name>decay_rate</name>
<type>
Constant
</type>
<value>0</value>
</property>
</properties>
</component>
<
component
>
<
name
>[Pa-231]</name>
<
properties
>
<property>
<name>pore_diffusion</name>
<type>
Constant
</type>
<value>1e-11</value>
</property>
<property>
<name>retardation_factor</name>
<type>
Constant
</type>
<value>1</value>
</property>
<property>
<name>decay_rate</name>
<type>
Constant
</type>
<value>0</value>
</property>
</properties>
</component>
<
component
>
<
name
>[Ac-227]</name>
<
properties
>
<property>
<name>pore_diffusion</name>
<type>
Constant
</type>
<value>1e-11</value>
</property>
<property>
<name>retardation_factor</name>
<type>
Constant
</type>
<value>1</value>
</property>
<property>
<name>decay_rate</name>
<type>
Constant
</type>
<value>0</value>
</property>
</properties>
</component>
</components>
<
properties
>
<
property
>
<
name
>density</name>
<
type
>
Constant
</type>
<
value
>1e3</value>
</property>
<
property
>
<
name
>viscosity</name>
<
type
>
Constant
</type>
<
value
>1e-3</value>
</property>
</properties>
</phase>
<
phase
>
<
type
>
Solid
</type>
<
components
>
<
component
>
<
name
>P1</name>
<
properties
>
<property>
<name>molality</name>
<type>
Constant
</type>
<value>10</value>
</property>
</properties>
</component>
<
component
>
<
name
>P2</name>
<
properties
>
<property>
<name>molality</name>
<type>
Constant
</type>
<value>10</value>
</property>
</properties>
</component>
<
component
>
<
name
>P3</name>
<
properties
>
<property>
<name>molality</name>
<type>
Constant
</type>
<value>10</value>
</property>
</properties>
</component>
<
component
>
<
name
>P4</name>
<
properties
>
<property>
<name>molality</name>
<type>
Constant
</type>
<value>10</value>
</property>
</properties>
</component>
<
component
>
<
name
>P5</name>
<
properties
>
<property>
<name>molality</name>
<type>
Constant
</type>
<value>10</value>
</property>
</properties>
</component>
<
component
>
<
name
>P6</name>
<
properties
>
<property>
<name>molality</name>
<type>
Constant
</type>
<value>10</value>
</property>
</properties>
</component>
</components>
</phase>
</phases>
<
properties
>
<
property
>
<
name
>permeability</name>
<
type
>
Parameter
</type>
<
parameter_name
>kappa</parameter_name>
</property>
<
property
>
<
name
>porosity</name>
<
type
>
Parameter
</type>
<
parameter_name
>porosity</parameter_name>
</property>
<
property
>
<
name
>longitudinal_dispersivity</name>
<
type
>
Constant
</type>
<
value
>0</value>
</property>
<
property
>
<
name
>transversal_dispersivity</name>
<
type
>
Constant
</type>
<
value
>0</value>
</property>
</properties>
</medium>
</media>
<
time_loop
>
<
global_process_coupling
>
<
max_iter
>6</max_iter>
<
convergence_criteria
>
<
convergence_criterion
>
<type>
DeltaX
</type>
<norm_type>NORM2</norm_type>
<reltol>1e-14</reltol>
</convergence_criterion>
<
convergence_criterion
>
<type>
DeltaX
</type>
<norm_type>NORM2</norm_type>
<reltol>1e-14</reltol>
</convergence_criterion>
<
convergence_criterion
>
<type>
DeltaX
</type>
<norm_type>NORM2</norm_type>
<reltol>1e-14</reltol>
</convergence_criterion>
<
convergence_criterion
>
<type>
DeltaX
</type>
<norm_type>NORM2</norm_type>
<reltol>1e-14</reltol>
</convergence_criterion>
<
convergence_criterion
>
<type>
DeltaX
</type>
<norm_type>NORM2</norm_type>
<reltol>1e-14</reltol>
</convergence_criterion>
<
convergence_criterion
>
<type>
DeltaX
</type>
<norm_type>NORM2</norm_type>
<reltol>1e-14</reltol>
</convergence_criterion>
<
convergence_criterion
>
<type>
DeltaX
</type>
<norm_type>NORM2</norm_type>
<reltol>1e-14</reltol>
</convergence_criterion>
<
convergence_criterion
>
<type>
DeltaX
</type>
<norm_type>NORM2</norm_type>
<reltol>1e-14</reltol>
</convergence_criterion>
</convergence_criteria>
</global_process_coupling>
<
processes
>
<
process
ref
="hc">
<
nonlinear_solver
>basic_picard</nonlinear_solver>
<
convergence_criterion
>
<
type
>
DeltaX
</type>
<
norm_type
>NORM2</norm_type>
<
reltol
>1e-14</reltol>
</convergence_criterion>
<
time_discretization
>
<
type
>
BackwardEuler
</type>
</time_discretization>
<
time_stepping
>
<
type
>
FixedTimeStepping
</type>
<
t_initial
>0.0</t_initial>
<
t_end
>3.1536e12</t_end>
<
timesteps
>
<
pair
>
<
repeat
>20000</repeat>
<
delta_t
>1.5768e8</delta_t>
</pair>
</timesteps>
</time_stepping>
</process>
<
process
ref
="hc">
<
nonlinear_solver
>basic_picard</nonlinear_solver>
<
convergence_criterion
>
<
type
>
DeltaX
</type>
<
norm_type
>NORM2</norm_type>
<
reltol
>1e-14</reltol>
</convergence_criterion>
<
time_discretization
>
<
type
>
BackwardEuler
</type>
</time_discretization>
<
time_stepping
>
<
type
>
FixedTimeStepping
</type>
<
t_initial
>0.0</t_initial>
<
t_end
>3.1536e12</t_end>
<
timesteps
>
<
pair
>
<
repeat
>20000</repeat>
<
delta_t
>1.5768e8</delta_t>
</pair>
</timesteps>
</time_stepping>
</process>
<
process
ref
="hc">
<
nonlinear_solver
>basic_picard</nonlinear_solver>
<
convergence_criterion
>
<
type
>
DeltaX
</type>
<
norm_type
>NORM2</norm_type>
<
reltol
>1e-14</reltol>
</convergence_criterion>
<
time_discretization
>
<
type
>
BackwardEuler
</type>
</time_discretization>
<
time_stepping
>
<
type
>
FixedTimeStepping
</type>
<
t_initial
>0.0</t_initial>
<
t_end
>3.1536e12</t_end>
<
timesteps
>
<
pair
>
<
repeat
>20000</repeat>
<
delta_t
>1.5768e8</delta_t>
</pair>
</timesteps>
</time_stepping>
</process>
<
process
ref
="hc">
<
nonlinear_solver
>basic_picard</nonlinear_solver>
<
convergence_criterion
>
<
type
>
DeltaX
</type>
<
norm_type
>NORM2</norm_type>
<
reltol
>1e-14</reltol>
</convergence_criterion>
<
time_discretization
>
<
type
>
BackwardEuler
</type>
</time_discretization>
<
time_stepping
>
<
type
>
FixedTimeStepping
</type>
<
t_initial
>0.0</t_initial>
<
t_end
>3.1536e12</t_end>
<
timesteps
>
<
pair
>
<
repeat
>20000</repeat>
<
delta_t
>1.5768e8</delta_t>
</pair>
</timesteps>
</time_stepping>
</process>
<
process
ref
="hc">
<
nonlinear_solver
>basic_picard</nonlinear_solver>
<
convergence_criterion
>
<
type
>
DeltaX
</type>
<
norm_type
>NORM2</norm_type>
<
reltol
>1e-14</reltol>
</convergence_criterion>
<
time_discretization
>
<
type
>
BackwardEuler
</type>
</time_discretization>
<
time_stepping
>
<
type
>
FixedTimeStepping
</type>
<
t_initial
>0.0</t_initial>
<
t_end
>3.1536e12</t_end>
<
timesteps
>
<
pair
>
<
repeat
>20000</repeat>
<
delta_t
>1.5768e8</delta_t>
</pair>
</timesteps>
</time_stepping>
</process>
<
process
ref
="hc">
<
nonlinear_solver
>basic_picard</nonlinear_solver>
<
convergence_criterion
>
<
type
>
DeltaX
</type>
<
norm_type
>NORM2</norm_type>
<
reltol
>1e-14</reltol>
</convergence_criterion>
<
time_discretization
>
<
type
>
BackwardEuler
</type>
</time_discretization>
<
time_stepping
>
<
type
>
FixedTimeStepping
</type>
<
t_initial
>0.0</t_initial>
<
t_end
>3.1536e12</t_end>
<
timesteps
>
<
pair
>
<
repeat
>20000</repeat>
<
delta_t
>1.5768e8</delta_t>
</pair>
</timesteps>
</time_stepping>
</process>
<
process
ref
="hc">
<
nonlinear_solver
>basic_picard</nonlinear_solver>
<
convergence_criterion
>
<
type
>
DeltaX
</type>
<
norm_type
>NORM2</norm_type>
<
reltol
>1e-14</reltol>
</convergence_criterion>
<
time_discretization
>
<
type
>
BackwardEuler
</type>
</time_discretization>
<
time_stepping
>
<
type
>
FixedTimeStepping
</type>
<
t_initial
>0.0</t_initial>
<
t_end
>3.1536e12</t_end>
<
timesteps
>
<
pair
>
<
repeat
>20000</repeat>
<
delta_t
>1.5768e8</delta_t>
</pair>
</timesteps>
</time_stepping>
</process>
<
process
ref
="hc">
<
nonlinear_solver
>basic_picard</nonlinear_solver>
<
convergence_criterion
>
<
type
>
DeltaX
</type>
<
norm_type
>NORM2</norm_type>
<
reltol
>1e-14</reltol>
</convergence_criterion>
<
time_discretization
>
<
type
>
BackwardEuler
</type>
</time_discretization>
<
time_stepping
>
<
type
>
FixedTimeStepping
</type>
<
t_initial
>0.0</t_initial>
<
t_end
>3.1536e12</t_end>
<
timesteps
>
<
pair
>
<
repeat
>20000</repeat>
<
delta_t
>1.5768e8</delta_t>
</pair>
</timesteps>
</time_stepping>
</process>
</processes>
<
output
>
<
type
>
VTK
</type>
<
prefix
>1d_decay_chain_OS_5year</prefix>
<
suffix
>
ts
{:timestep}_t_{:time}</suffix>
<
timesteps
>
<
pair
>
<
repeat
>1</repeat>
<
each_steps
>20000</each_steps>
</pair>
</timesteps>
<
variables
>
<
variable
>H</variable>
<
variable
>[Cm-247]</variable>
<
variable
>[Am-243]</variable>
<
variable
>[Pu-239]</variable>
<
variable
>[U-235]</variable>
<
variable
>[Pa-231]</variable>
<
variable
>[Ac-227]</variable>
<
variable
>pressure</variable>
</variables>
</output>
</time_loop>
<
chemical_system
chemical_solver
="Phreeqc">
<
mesh
>1d_decay_chain_ReactiveDomain</mesh>
<
linear_solver
>general_linear_solver</linear_solver>
<
database
>1d_decay_chain_database.dat</database>
<
solution
>
<
temperature
>25</temperature>
<
pressure
>1</pressure>
<
pe
>4</pe>
<
components
>
<
component
>[Cm-247]</component>
<
component
>[Am-243]</component>
<
component
>[Pu-239]</component>
<
component
>[U-235]</component>
<
component
>[Pa-231]</component>
<
component
>[Ac-227]</component>
</components>
</solution>
<
kinetic_reactants
>
<
kinetic_reactant
>
<
name
>P1</name>
<
fix_amount
>true</fix_amount>
</kinetic_reactant>
<
kinetic_reactant
>
<
name
>P2</name>
<
fix_amount
>true</fix_amount>
</kinetic_reactant>
<
kinetic_reactant
>
<
name
>P3</name>
<
fix_amount
>true</fix_amount>
</kinetic_reactant>
<
kinetic_reactant
>
<
name
>P4</name>
<
fix_amount
>true</fix_amount>
</kinetic_reactant>
<
kinetic_reactant
>
<
name
>P5</name>
<
fix_amount
>true</fix_amount>
</kinetic_reactant>
<
kinetic_reactant
>
<
name
>P6</name>
<
fix_amount
>true</fix_amount>
</kinetic_reactant>
</kinetic_reactants>
<
rates
>
<
rate
>
<
kinetic_reactant
>P1</kinetic_reactant>
<
expression
>
<
statement
>t1_half_life = 1.56e7</statement>
<
statement
>k1 = LOG(2)
/
t1_half_life
/
3.1536e7</statement>
<
statement
>rate = - k1 * TOT("[Cm-247]")</statement>
<
statement
>moles = rate * TIME</statement>
<
statement
>save moles</statement>
</expression>
</rate>
<
rate
>
<
kinetic_reactant
>P2</kinetic_reactant>
<
expression
>
<
statement
>t1_half_life = 1.56e7</statement>
<
statement
>k1 = LOG(2)
/
t1_half_life
/
3.1536e7</statement>
<
statement
>t2_half_life = 7.37e3</statement>
<
statement
>k2 = LOG(2)
/
t2_half_life
/
3.1536e7</statement>
<
statement
>rate = k1 * TOT("[Cm-247]") - k2 * TOT("[Am-243]")</statement>
<
statement
>moles = rate * TIME</statement>
<
statement
>save moles</statement>
</expression>
</rate>
<
rate
>
<
kinetic_reactant
>P3</kinetic_reactant>
<
expression
>
<
statement
>t2_half_life = 7.37e3</statement>
<
statement
>k2 = LOG(2)
/
t2_half_life
/
3.1536e7</statement>
<
statement
>t3_half_life = 2.41e4</statement>
<
statement
>k3 = LOG(2)
/
t3_half_life
/
3.1536e7</statement>
<
statement
>rate = k2 * TOT("[Am-243]") - k3 * TOT("[Pu-239]")</statement>
<
statement
>moles = rate * TIME</statement>
<
statement
>save moles</statement>
</expression>
</rate>
<
rate
>
<
kinetic_reactant
>P4</kinetic_reactant>
<
expression
>
<
statement
>t3_half_life = 2.41e4</statement>
<
statement
>k3 = LOG(2)
/
t3_half_life
/
3.1536e7</statement>
<
statement
>t4_half_life = 7.04e8</statement>
<
statement
>k4 = LOG(2)
/
t4_half_life
/
3.1536e7</statement>
<
statement
>rate = k3 * TOT("[Pu-239]") - k4 * TOT("[U-235]")</statement>
<
statement
>moles = rate * TIME</statement>
<
statement
>save moles</statement>
</expression>
</rate>
<
rate
>
<
kinetic_reactant
>P5</kinetic_reactant>
<
expression
>
<
statement
>t4_half_life = 7.04e8</statement>
<
statement
>k4 = LOG(2)
/
t4_half_life
/
3.1536e7</statement>
<
statement
>t5_half_life = 3.28e4</statement>
<
statement
>k5 = LOG(2)
/
t5_half_life
/
3.1536e7</statement>
<
statement
>rate = k4 * TOT("[U-235]") - k5 * TOT("[Pa-231]")</statement>
<
statement
>moles = rate * TIME</statement>
<
statement
>save moles</statement>
</expression>
</rate>
<
rate
>
<
kinetic_reactant
>P6</kinetic_reactant>
<
expression
>
<
statement
>t5_half_life = 3.28e4</statement>
<
statement
>k5 = LOG(2)
/
t5_half_life
/
3.1536e7</statement>
<
statement
>t6_half_life = 21.773</statement>
<
statement
>k6 = LOG(2)
/
t6_half_life
/
3.1536e7</statement>
<
statement
>rate = k5 * TOT("[Pa-231]") - k6 * TOT("[Ac-227]")</statement>
<
statement
>moles = rate * TIME</statement>
<
statement
>save moles</statement>
</expression>
</rate>
</rates>
<
knobs
>
<
max_iter
>100</max_iter>
<
relative_convergence_tolerance
>1e-12</relative_convergence_tolerance>
<
tolerance
>1e-15</tolerance>
<
step_size
>100</step_size>
<
scaling
>0</scaling>
</knobs>
</chemical_system>
<
parameters
>
<
parameter
>
<
name
>kappa</name>
<
type
>
Constant
</type>
<
values
>1.157e-12</values>
</parameter>
<
parameter
>
<
name
>porosity</name>
<
type
>
Constant
</type>
<
value
>0.12</value>
</parameter>
<
parameter
>
<
name
>p0</name>
<
type
>
Constant
</type>
<
value
>1e5</value>
</parameter>
<
parameter
>
<
name
>c0_H</name>
<
type
>
Constant
</type>
<
value
>1e-7</value>
</parameter>
<
parameter
>
<
name
>c0_default</name>
<
type
>
Constant
</type>
<
value
>0</value>
</parameter>
<
parameter
>
<
name
>c_H</name>
<
type
>
Constant
</type>
<
value
>1e-7</value>
</parameter>
<
parameter
>
<
name
>c_default</name>
<
type
>
Constant
</type>
<
value
>1</value>
</parameter>
</parameters>
<
process_variables
>
<
process_variable
>
<
name
>pressure</name>
<
components
>1</components>
<
order
>1</order>
<
initial_condition
>p0</initial_condition>
<
boundary_conditions
>
<
boundary_condition
>
<
mesh
>1d_decay_chain_ReactiveDomain</mesh>
<
type
>
Dirichlet
</type>
<
parameter
>p0</parameter>
</boundary_condition>
</boundary_conditions>
</process_variable>
<
process_variable
>
<
name
>H</name>
<
components
>1</components>
<
order
>1</order>
<
initial_condition
>c0_H</initial_condition>
<
boundary_conditions
>
<
boundary_condition
>
<
mesh
>1d_decay_chain_upstream</mesh>
<
type
>
Dirichlet
</type>
<
parameter
>c_H</parameter>
</boundary_condition>
</boundary_conditions>
</process_variable>
<
process_variable
>
<
name
>[Cm-247]</name>
<
components
>1</components>
<
order
>1</order>
<
initial_condition
>c0_default</initial_condition>
<
boundary_conditions
>
<
boundary_condition
>
<
mesh
>1d_decay_chain_upstream</mesh>
<
type
>
Dirichlet
</type>
<
parameter
>c_default</parameter>
</boundary_condition>
</boundary_conditions>
</process_variable>
<
process_variable
>
<
name
>[Am-243]</name>
<
components
>1</components>
<
order
>1</order>
<
initial_condition
>c0_default</initial_condition>
<
boundary_conditions
>
<
boundary_condition
>
<
mesh
>1d_decay_chain_upstream</mesh>
<
type
>
Dirichlet
</type>
<
parameter
>c_default</parameter>
</boundary_condition>
</boundary_conditions>
</process_variable>
<
process_variable
>
<
name
>[Pu-239]</name>
<
components
>1</components>
<
order
>1</order>
<
initial_condition
>c0_default</initial_condition>
<
boundary_conditions
>
<
boundary_condition
>
<
mesh
>1d_decay_chain_upstream</mesh>
<
type
>
Dirichlet
</type>
<
parameter
>c_default</parameter>
</boundary_condition>
</boundary_conditions>
</process_variable>
<
process_variable
>
<
name
>[U-235]</name>
<
components
>1</components>
<
order
>1</order>
<
initial_condition
>c0_default</initial_condition>
<
boundary_conditions
>
<
boundary_condition
>
<
mesh
>1d_decay_chain_upstream</mesh>
<
type
>
Dirichlet
</type>
<
parameter
>c_default</parameter>
</boundary_condition>
</boundary_conditions>
</process_variable>
<
process_variable
>
<
name
>[Pa-231]</name>
<
components
>1</components>
<
order
>1</order>
<
initial_condition
>c0_default</initial_condition>
<
boundary_conditions
>
<
boundary_condition
>
<
mesh
>1d_decay_chain_upstream</mesh>
<
type
>
Dirichlet
</type>
<
parameter
>c_default</parameter>
</boundary_condition>
</boundary_conditions>
</process_variable>
<
process_variable
>
<
name
>[Ac-227]</name>
<
components
>1</components>
<
order
>1</order>
<
initial_condition
>c0_default</initial_condition>
<
boundary_conditions
>
<
boundary_condition
>
<
mesh
>1d_decay_chain_upstream</mesh>
<
type
>
Dirichlet
</type>
<
parameter
>c_default</parameter>
</boundary_condition>
</boundary_conditions>
</process_variable>
</process_variables>
<
nonlinear_solvers
>
<
nonlinear_solver
>
<
name
>basic_picard</name>
<
type
>
Picard
</type>
<
max_iter
>10</max_iter>
<
linear_solver
>general_linear_solver</linear_solver>
</nonlinear_solver>
</nonlinear_solvers>
<
linear_solvers
>
<
linear_solver
>
<
name
>general_linear_solver</name>
<
lis
>-i cg -p jacobi -tol 1e-16 -maxiter 20000</lis>
<
eigen
>
<
solver_type
>BiCGSTAB</solver_type>
<
precon_type
>ILUT</precon_type>
<
max_iteration_step
>10000</max_iteration_step>
<
error_tolerance
>1e-14</error_tolerance>
</eigen>
<
petsc
>
<
prefix
>hc</prefix>
<
parameters
>-hc_ksp_type bcgs -hc_pc_type bjacobi -hc_ksp_rtol 1e-8 -hc_ksp_max_it 20000</parameters>
</petsc>
</linear_solver>
</linear_solvers>
</OpenGeoSysProject>
OGS CTests—Project Files
Parabolic
ComponentTransport
ReactiveTransport
DecayChain
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