OGS
|
<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>