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OGS
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OGS
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<OpenGeoSysProject>
<meshes>
<mesh>KineticReactant2.vtu</mesh>
<mesh>KineticReactant2_upstream.vtu</mesh>
<mesh>KineticReactant2_downstream.vtu</mesh>
<mesh>KineticReactant2_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>Synthetica</concentration>
<concentration>Syntheticb</concentration>
<concentration>Productd</concentration>
<pressure>pressure</pressure>
</process_variables>
<specific_body_force>0</specific_body_force>
<secondary_variables>
<secondary_variable internal_name="darcy_velocity" output_name="darcy_velocity" />
</secondary_variables>
</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-7</value>
</property>
<property>
<name>retardation_factor</name>
<type>Constant</type>
<value>1</value>
</property>
<property>
<name>decay_rate</name>
<type>Parameter</type>
<parameter_name>decay</parameter_name>
</property>
</properties>
</component>
<component>
<name>Synthetica</name>
<properties>
<property>
<name>pore_diffusion</name>
<type>Constant</type>
<value>1e-12</value>
</property>
<property>
<name>retardation_factor</name>
<type>Constant</type>
<value>1</value>
</property>
<property>
<name>decay_rate</name>
<type>Parameter</type>
<parameter_name>decay</parameter_name>
</property>
</properties>
</component>
<component>
<name>Syntheticb</name>
<properties>
<property>
<name>pore_diffusion</name>
<type>Constant</type>
<value>1e-12</value>
</property>
<property>
<name>retardation_factor</name>
<type>Constant</type>
<value>1</value>
</property>
<property>
<name>decay_rate</name>
<type>Parameter</type>
<parameter_name>decay</parameter_name>
</property>
</properties>
</component>
<component>
<name>Productd</name>
<properties>
<property>
<name>pore_diffusion</name>
<type>Constant</type>
<value>1e-12</value>
</property>
<property>
<name>retardation_factor</name>
<type>Constant</type>
<value>1</value>
</property>
<property>
<name>decay_rate</name>
<type>Parameter</type>
<parameter_name>decay</parameter_name>
</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>Synthetics_to_Productd</name>
<properties>
<property>
<name>molality</name>
<type>Constant</type>
<value>1.0</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_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>21000</t_end>
<timesteps>
<pair>
<repeat>210</repeat>
<delta_t>100</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>21000</t_end>
<timesteps>
<pair>
<repeat>210</repeat>
<delta_t>100</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>21000</t_end>
<timesteps>
<pair>
<repeat>210</repeat>
<delta_t>100</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>21000</t_end>
<timesteps>
<pair>
<repeat>210</repeat>
<delta_t>100</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>21000</t_end>
<timesteps>
<pair>
<repeat>210</repeat>
<delta_t>100</delta_t>
</pair>
</timesteps>
</time_stepping>
</process>
</processes>
<output>
<type>VTK</type>
<prefix>KineticReactant2</prefix>
<suffix>ts{:timestep}_t_{:time}</suffix>
<timesteps>
<pair>
<repeat>24</repeat>
<each_steps>42</each_steps>
</pair>
</timesteps>
<variables>
<variable>H</variable>
<variable>Synthetica</variable>
<variable>Syntheticb</variable>
<variable>Productd</variable>
<variable>pressure</variable>
<variable>darcy_velocity</variable>
</variables>
</output>
</time_loop>
<chemical_system chemical_solver="Phreeqc">
<mesh>KineticReactant2_ReactiveDomain</mesh>
<linear_solver>general_linear_solver</linear_solver>
<database>test.dat</database>
<solution>
<temperature>25</temperature>
<pressure>1</pressure>
<pe>4</pe>
<components>
<component>Synthetica</component>
<component>Syntheticb</component>
<component>Productd</component>
</components>
</solution>
<kinetic_reactants>
<kinetic_reactant>
<name>Synthetics_to_Productd</name>
<chemical_formula>Productd 1 Synthetica -1 Syntheticb -0.5</chemical_formula>
</kinetic_reactant>
</kinetic_reactants>
<rates>
<rate>
<kinetic_reactant>Synthetics_to_Productd</kinetic_reactant>
<expression>
<statement>Km = 10</statement>
<statement>U = 1e-4</statement>
<statement>rate = U * TOT("Synthetica") / (Km + TOT("Syntheticb"))</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>1</value>
</parameter>
<parameter>
<name>retardation</name>
<type>Constant</type>
<value>1</value>
</parameter>
<parameter>
<name>decay</name>
<type>Constant</type>
<value>0</value>
</parameter>
<parameter>
<name>p0</name>
<type>Constant</type>
<value>1e5</value>
</parameter>
<parameter>
<name>p_upstream</name>
<type>Constant</type>
<value>1e5</value>
</parameter>
<parameter>
<name>p_downstream_Neumann</name>
<type>Constant</type>
<value>-1.685e-2</value>
</parameter>
<parameter>
<name>c0_H</name>
<type>Constant</type>
<value>1e-7</value>
</parameter>
<parameter>
<name>c0_Synthetica</name>
<type>Constant</type>
<value>0.5</value>
</parameter>
<parameter>
<name>c0_Syntheticb</name>
<type>Constant</type>
<value>0.5</value>
</parameter>
<parameter>
<name>c0_Productd</name>
<type>Constant</type>
<value>0.0</value>
</parameter>
<parameter>
<name>c_H</name>
<type>Constant</type>
<value>1e-7</value>
</parameter>
<parameter>
<name>c_Synthetica</name>
<type>Constant</type>
<value>0.5</value>
</parameter>
<parameter>
<name>c_Syntheticb</name>
<type>Constant</type>
<value>0.5</value>
</parameter>
<parameter>
<name>c_Productd</name>
<type>Constant</type>
<value>0.00</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>KineticReactant2_upstream</mesh>
<type>Dirichlet</type>
<parameter>p_upstream</parameter>
</boundary_condition>
<boundary_condition>
<mesh>KineticReactant2_downstream</mesh>
<type>Neumann</type>
<parameter>p_downstream_Neumann</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>KineticReactant2_upstream</mesh>
<type>Dirichlet</type>
<parameter>c_H</parameter>
</boundary_condition>
</boundary_conditions>
</process_variable>
<process_variable>
<name>Synthetica</name>
<components>1</components>
<order>1</order>
<initial_condition>c0_Synthetica</initial_condition>
<boundary_conditions>
<boundary_condition>
<mesh>KineticReactant2_upstream</mesh>
<type>Dirichlet</type>
<parameter>c_Synthetica</parameter>
</boundary_condition>
</boundary_conditions>
</process_variable>
<process_variable>
<name>Syntheticb</name>
<components>1</components>
<order>1</order>
<initial_condition>c0_Syntheticb</initial_condition>
<boundary_conditions>
<boundary_condition>
<mesh>KineticReactant2_upstream</mesh>
<type>Dirichlet</type>
<parameter>c_Syntheticb</parameter>
</boundary_condition>
</boundary_conditions>
</process_variable>
<process_variable>
<name>Productd</name>
<components>1</components>
<order>1</order>
<initial_condition>c0_Productd</initial_condition>
<boundary_conditions>
<boundary_condition>
<mesh>KineticReactant2_upstream</mesh>
<type>Dirichlet</type>
<parameter>c_Productd</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>
<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>
</linear_solver>
</linear_solvers>
<test_definition>
<vtkdiff>
<regex>KineticReactant2_ts_[0-9]*_t_[0-9]*.000000.vtu</regex>
<field>pressure</field>
<absolute_tolerance>1e-6</absolute_tolerance>
<relative_tolerance>1e-10</relative_tolerance>
</vtkdiff>
<vtkdiff>
<regex>KineticReactant2_ts_[0-9]*_t_[0-9]*.000000.vtu</regex>
<field>Synthetica</field>
<absolute_tolerance>1e-10</absolute_tolerance>
<relative_tolerance>1e-16</relative_tolerance>
</vtkdiff>
<vtkdiff>
<regex>KineticReactant2_ts_[0-9]*_t_[0-9]*.000000.vtu</regex>
<field>Syntheticb</field>
<absolute_tolerance>1e-10</absolute_tolerance>
<relative_tolerance>1e-16</relative_tolerance>
</vtkdiff>
<vtkdiff>
<regex>KineticReactant2_ts_[0-9]*_t_[0-9]*.000000.vtu</regex>
<field>Productd</field>
<absolute_tolerance>1e-10</absolute_tolerance>
<relative_tolerance>1e-16</relative_tolerance>
</vtkdiff>
<vtkdiff>
<regex>KineticReactant2_ts_[0-9]*_t_[0-9]*.000000.vtu</regex>
<field>H</field>
<absolute_tolerance>1e-10</absolute_tolerance>
<relative_tolerance>1e-16</relative_tolerance>
</vtkdiff>
</test_definition>
</OpenGeoSysProject>
1.11.0