OGS  master
tes-1D-zeolite-discharge-small.prj
<OpenGeoSysProject>
  <mesh>line_0.1_37.msh</mesh>
  <geometry>line_0.1.gml</geometry>
  <processes>
    <process>
      <name>TES_pcs</name>
      <type>TES</type>
      <integration_order>2</integration_order>
      <process_variables>
        <fluid_pressure>pressure</fluid_pressure>
        <temperature>temperature</temperature>
        <vapour_mass_fraction>v_mass_frac</vapour_mass_fraction>
      </process_variables>
      <secondary_variables>
        <secondary_variable internal_name="solid_density" output_name="solid_density" />
        <secondary_variable internal_name="reaction_rate" output_name="reaction_rate" />
        <secondary_variable internal_name="darcy_velocity" output_name="darcy_velocity" />
        <secondary_variable internal_name="vapour_partial_pressure" output_name="vapour_partial_pressure" />
        <secondary_variable internal_name="relative_humidity" output_name="relative_humidity" />
        <secondary_variable internal_name="loading" output_name="loading" />
        <secondary_variable internal_name="equilibrium_loading" output_name="equilibrium_loading" />
        <secondary_variable internal_name="reaction_damping_factor" output_name="reaction_damping_factor" />
      </secondary_variables>
      <reactive_system>
        <type>Z13XBF</type>
      </reactive_system>
      <fluid_specific_heat_source>0.0</fluid_specific_heat_source>
      <fluid_specific_isobaric_heat_capacity>1012.0</fluid_specific_isobaric_heat_capacity>
      <solid_hydraulic_permeability>1.e-10</solid_hydraulic_permeability>
      <solid_specific_heat_source>0.0</solid_specific_heat_source>
      <solid_heat_conductivity>0.4</solid_heat_conductivity>
      <solid_specific_isobaric_heat_capacity>880.0</solid_specific_isobaric_heat_capacity>
      <tortuosity>1.0</tortuosity>
      <diffusion_coefficient>3.0e-5</diffusion_coefficient>
      <porosity>0.4</porosity>
      <solid_density_dry>1150.0</solid_density_dry>
      <solid_density_initial>1305.25</solid_density_initial>
      <characteristic_pressure>1e5</characteristic_pressure>
      <characteristic_temperature>200</characteristic_temperature>
      <characteristic_vapour_mass_fraction>0.01</characteristic_vapour_mass_fraction>
      <output_element_matrices>false</output_element_matrices>
    </process>
  </processes>
  <nonlinear_solvers>
    <nonlinear_solver>
      <name>basic_picard</name>
      <type>Picard</type>
      <max_iter>100</max_iter>
      <linear_solver>general_linear_solver</linear_solver>
    </nonlinear_solver>
  </nonlinear_solvers>
  <linear_solvers>
    <linear_solver>
      <name>general_linear_solver</name>
      <lis>-i bicgstab -p ilu -tol 1e-24 -maxiter 10000 -print mem</lis>
      <eigen>
        <solver_type>BiCGSTAB</solver_type>
        <precon_type>ILUT</precon_type>
        <max_iteration_step>10000</max_iteration_step>
        <error_tolerance>1e-24</error_tolerance>
      </eigen>
      <petsc>
        <prefix>tes</prefix>
        <parameters>-tes_ksp_type cg -tes_pc_type bjacobi -tes_ksp_rtol 1e-24 -tes_ksp_max_it 10000</parameters>
      </petsc>
    </linear_solver>
  </linear_solvers>
  <time_loop>
    <processes>
      <process ref="TES_pcs">
        <nonlinear_solver>basic_picard</nonlinear_solver>
        <convergence_criterion>
          <type>DeltaX</type>
          <norm_type>NORM2</norm_type>
          <abstol>1.e-3</abstol>
        </convergence_criterion>
        <time_discretization>
          <type>BackwardEuler</type>
        </time_discretization>
        <time_stepping>
          <type>FixedTimeStepping</type>
          <t_initial>0.0</t_initial>
          <t_end>0.1</t_end>
          <timesteps>
            <pair>
              <repeat>10</repeat>
              <delta_t>0.001</delta_t>
            </pair>
            <pair>
              <repeat>9</repeat>
              <delta_t>0.01</delta_t>
            </pair>
          </timesteps>
        </time_stepping>
      </process>
    </processes>
    <output>
      <type>VTK</type>
      <prefix>tes_zeolite_discharge_small</prefix>
      <timesteps>
        <pair>
          <repeat>1</repeat>
          <each_steps>10</each_steps>
        </pair>
        <pair>
          <repeat>1</repeat>
          <each_steps>9</each_steps>
        </pair>
      </timesteps>
      <variables>
        <variable>pressure</variable>
        <variable>temperature</variable>
        <variable>v_mass_frac</variable>
        <variable>solid_density</variable>
        <variable>reaction_rate</variable>
        <variable>darcy_velocity</variable>
        <variable>loading</variable>
        <variable>equilibrium_loading</variable>
        <variable>vapour_partial_pressure</variable>
        <variable>relative_humidity</variable>
        <variable>reaction_damping_factor</variable>
      </variables>
      <suffix>ts{:timestep}_t_{:time}</suffix>
    </output>
  </time_loop>
  <parameters>
    <parameter>
      <name>p_in</name>
      <type>Constant</type>
      <value>1e5</value>
    </parameter>
    <parameter>
      <name>T_in</name>
      <type>Constant</type>
      <value>303.15</value>
    </parameter>
    <parameter>
      <name>xmV_in</name>
      <type>Constant</type>
      <value>0.025</value>
    </parameter>
    <parameter>
      <name>mass_flux</name>
      <type>Constant</type>
      <value>0.04</value>
    </parameter>
  </parameters>
  <process_variables>
    <process_variable>
      <name>pressure</name>
      <components>1</components>
      <order>1</order>
      <initial_condition>p_in</initial_condition>
      <boundary_conditions>
        <boundary_condition>
          <geometrical_set>line_geometry</geometrical_set>
          <geometry>left</geometry>
          <type>Neumann</type>
          <parameter>mass_flux</parameter>
        </boundary_condition>
        <boundary_condition>
          <geometrical_set>line_geometry</geometrical_set>
          <geometry>right</geometry>
          <type>Dirichlet</type>
          <parameter>p_in</parameter>
        </boundary_condition>
      </boundary_conditions>
    </process_variable>
    <process_variable>
      <name>temperature</name>
      <components>1</components>
      <order>1</order>
      <initial_condition>T_in</initial_condition>
      <boundary_conditions>
        <boundary_condition>
          <geometrical_set>line_geometry</geometrical_set>
          <geometry>left</geometry>
          <type>Dirichlet</type>
          <parameter>T_in</parameter>
        </boundary_condition>
      </boundary_conditions>
    </process_variable>
    <process_variable>
      <name>v_mass_frac</name>
      <components>1</components>
      <order>1</order>
      <initial_condition>xmV_in</initial_condition>
      <boundary_conditions>
        <boundary_condition>
          <geometrical_set>line_geometry</geometrical_set>
          <geometry>left</geometry>
          <type>Dirichlet</type>
          <parameter>xmV_in</parameter>
        </boundary_condition>
      </boundary_conditions>
    </process_variable>
  </process_variables>
</OpenGeoSysProject>