cl.prj

<OpenGeoSysProject>
  <meshes>
    <mesh>cl_bulk.vtu</mesh>
    <mesh>cl_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>C(4)</concentration>
        <concentration>Ca</concentration>
        <concentration>Mg</concentration>
        <concentration>Cl</concentration>
        <concentration>K</concentration>
        <concentration>Na</concentration>
        <concentration>S(6)</concentration>
        <concentration>Al</concentration>
        <concentration>Si</concentration>
        <concentration>Sr</concentration>
        <concentration>H</concentration>
        <pressure>pressure</pressure>
      </process_variables>
      <specific_body_force>0</specific_body_force>
      <chemically_induced_porosity_change>true</chemically_induced_porosity_change>
      <secondary_variables>
        <secondary_variable name="darcy_velocity" />
      </secondary_variables>
    </process>
  </processes>
  <media>
    <medium id="0">
      <phases>
        <phase>
          <type>AqueousLiquid</type>
          <components>
            <component>
              <name>C(4)</name>
              <properties>
                <property>
                  <name>pore_diffusion</name>
                  <type>Constant</type>
                  <value>0</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>Ca</name>
              <properties>
                <property>
                  <name>pore_diffusion</name>
                  <type>Constant</type>
                  <value>0</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>Mg</name>
              <properties>
                <property>
                  <name>pore_diffusion</name>
                  <type>Constant</type>
                  <value>0</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>Cl</name>
              <properties>
                <property>
                  <name>pore_diffusion</name>
                  <type>Constant</type>
                  <value>0</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>K</name>
              <properties>
                <property>
                  <name>pore_diffusion</name>
                  <type>Constant</type>
                  <value>0</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>Na</name>
              <properties>
                <property>
                  <name>pore_diffusion</name>
                  <type>Constant</type>
                  <value>0</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>S(6)</name>
              <properties>
                <property>
                  <name>pore_diffusion</name>
                  <type>Constant</type>
                  <value>0</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>Al</name>
              <properties>
                <property>
                  <name>pore_diffusion</name>
                  <type>Constant</type>
                  <value>0</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>Si</name>
              <properties>
                <property>
                  <name>pore_diffusion</name>
                  <type>Constant</type>
                  <value>0</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>Sr</name>
              <properties>
                <property>
                  <name>pore_diffusion</name>
                  <type>Constant</type>
                  <value>0</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>H</name>
              <properties>
                <property>
                  <name>pore_diffusion</name>
                  <type>Constant</type>
                  <value>0</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>Calcite</name>
              <properties>
                <property>
                  <name>volume_fraction</name>
                  <type>Constant</type>
                  <value>0.06375</value>
                </property>
                <property>
                  <name>molar_volume</name>
                  <type>Constant</type>
                  <value>3.6934e-5</value>
                </property>
              </properties>
            </component>
            <component>
              <name>Dolomite-dis</name>
              <properties>
                <property>
                  <name>volume_fraction</name>
                  <type>Constant</type>
                  <value>0.02125</value>
                </property>
                <property>
                  <name>molar_volume</name>
                  <type>Constant</type>
                  <value>6.439e-5</value>
                </property>
              </properties>
            </component>
            <component>
              <name>Illite</name>
              <properties>
                <property>
                  <name>volume_fraction</name>
                  <type>Constant</type>
                  <value>0.306</value>
                </property>
                <property>
                  <name>molar_volume</name>
                  <type>Constant</type>
                  <value>1.4148e-4</value>
                </property>
              </properties>
            </component>
            <component>
              <name>Kaolinite</name>
              <properties>
                <property>
                  <name>volume_fraction</name>
                  <type>Constant</type>
                  <value>0.204</value>
                </property>
                <property>
                  <name>molar_volume</name>
                  <type>Constant</type>
                  <value>9.935e-5</value>
                </property>
              </properties>
            </component>
            <component>
              <name>CO2(g)</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-10</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-10</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_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-10</reltol>
        </convergence_criterion>
        <time_discretization>
          <type>BackwardEuler</type>
        </time_discretization>
        <time_stepping>
          <type>FixedTimeStepping</type>
          <t_initial>0.0</t_initial>
          <t_end>7200</t_end>
          <timesteps>
            <pair>
              <repeat>1</repeat>
              <delta_t>7200</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>7200</t_end>
          <timesteps>
            <pair>
              <repeat>1</repeat>
              <delta_t>60</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>7200</t_end>
          <timesteps>
            <pair>
              <repeat>1</repeat>
              <delta_t>60</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>7200</t_end>
          <timesteps>
            <pair>
              <repeat>1</repeat>
              <delta_t>60</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>7200</t_end>
          <timesteps>
            <pair>
              <repeat>1</repeat>
              <delta_t>60</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>7200</t_end>
          <timesteps>
            <pair>
              <repeat>1</repeat>
              <delta_t>60</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>7200</t_end>
          <timesteps>
            <pair>
              <repeat>1</repeat>
              <delta_t>60</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>7200</t_end>
          <timesteps>
            <pair>
              <repeat>1</repeat>
              <delta_t>60</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>7200</t_end>
          <timesteps>
            <pair>
              <repeat>1</repeat>
              <delta_t>60</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>7200</t_end>
          <timesteps>
            <pair>
              <repeat>1</repeat>
              <delta_t>60</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>7200</t_end>
          <timesteps>
            <pair>
              <repeat>1</repeat>
              <delta_t>60</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>7200</t_end>
          <timesteps>
            <pair>
              <repeat>1</repeat>
              <delta_t>7200</delta_t>
            </pair>
          </timesteps>
        </time_stepping>
      </process>
    </processes>
    <include file="./01_timestepping_cl.xml" />
    <output>
      <type>VTK</type>
      <prefix>disso_opa</prefix>
      <suffix>ts{:timestep}_t_{:time}</suffix>
      <timesteps>
        <pair>
          <repeat>1</repeat>
          <each_steps>1</each_steps>
        </pair>
      </timesteps>
      <variables />
    </output>
  </time_loop>
  <chemical_system chemical_solver="Phreeqc">
    <mesh>cl_ReactiveDomain</mesh>
    <linear_solver>general_linear_solver</linear_solver>
    <database>llnl.dat</database>
    <use_high_precision>true</use_high_precision>
    <solution>
      <temperature>25</temperature>
      <pressure>1</pressure>
      <pe>4</pe>
      <components>
        <component>C(4)</component>
        <component>Ca</component>
        <component>Mg</component>
        <component>Cl</component>
        <component>K</component>
        <component>Na</component>
        <component>S(6)</component>
        <component>Al</component>
        <component>Si</component>
        <component>Sr</component>
      </components>
      <charge_balance>pH</charge_balance>
    </solution>
    <equilibrium_reactants>
      <phase_component>
        <name>CO2(g)</name>
        <saturation_index>1.5</saturation_index>
      </phase_component>
    </equilibrium_reactants>
    <kinetic_reactants>
      <kinetic_reactant>
        <name>Calcite</name>
      </kinetic_reactant>
      <kinetic_reactant>
        <name>Dolomite-dis</name>
      </kinetic_reactant>
      <kinetic_reactant>
        <name>Illite</name>
      </kinetic_reactant>
      <kinetic_reactant>
        <name>Kaolinite</name>
      </kinetic_reactant>
    </kinetic_reactants>
    <rates>
      <rate>
        <kinetic_reactant>Calcite</kinetic_reactant>
        <expression>
          <statement>if (M <= 0) then goto 25</statement>
          <statement>R = 8.314472</statement>
          <statement>deltaT = 1/TK - 1/298.15</statement>
          <statement>logK25 = -0.30</statement>
          <statement>Ea = 14400</statement>
          <statement>ny = 1.0</statement>
          <statement>mech_a = (10^logK25) * ACT("H+")^ny * EXP(- Ea / R * deltaT)</statement>
          <statement>logK25 = -5.81</statement>
          <statement>Ea = 23500</statement>
          <statement>mech_b = (10^logK25) * EXP(- Ea / R * deltaT)</statement>
          <statement>logK25 = -3.48</statement>
          <statement>Ea = 35400</statement>
          <statement>ny = 1.0</statement>
          <statement>mech_c = (10^logK25) * SR("CO2(g)")^ny * EXP(- Ea / R * deltaT)</statement>
          <statement>K_temp = mech_a + mech_b + mech_c</statement>
          <statement>teta = 1</statement>
          <statement>eta = 1</statement>
          <statement>molar_volume = 3.692e-05</statement>
          <statement>bulk_volume = molar_volume * PARM(1)</statement>
          <statement>specific_surface_area = 20</statement>
          <statement>surface_area = specific_surface_area * bulk_volume</statement>
          <statement>rate = surface_area * K_temp * (1 - SR("Calcite")^teta)^eta</statement>
          <statement>if rate < 0 then rate = 0</statement>
          <statement>moles = rate * time</statement>
          <statement>save moles</statement>
        </expression>
      </rate>
      <rate>
        <kinetic_reactant>Dolomite-dis</kinetic_reactant>
        <expression>
          <statement>if (M <= 0) then goto 25</statement>
          <statement>R = 8.314472</statement>
          <statement>deltaT = 1/TK - 1/298.15</statement>
          <statement>logK25 = -3.19</statement>
          <statement>Ea = 36100</statement>
          <statement>ny = 0.5</statement>
          <statement>mech_a = (10^logK25) * ACT("H+")^ny * EXP(- Ea / R * deltaT)</statement>
          <statement>logK25 = -7.53</statement>
          <statement>Ea = 52200</statement>
          <statement>mech_b = (10^logK25) * EXP(- Ea / R * deltaT)</statement>
          <statement>logK25 = -5.11</statement>
          <statement>Ea = 34800</statement>
          <statement>ny = 0.5</statement>
          <statement>mech_c = (10^logK25) * SR("CO2(g)")^ny * EXP(- Ea / R * deltaT)</statement>
          <statement>K_temp = mech_a + mech_b + mech_c</statement>
          <statement>teta = 1</statement>
          <statement>eta = 1</statement>
          <statement>molar_volume = 6.439e-5</statement>
          <statement>bulk_volume = molar_volume * PARM(1)</statement>
          <statement>specific_surface_area = 3000</statement>
          <statement>surface_area = specific_surface_area * bulk_volume</statement>
          <statement>rate = surface_area * K_temp * (1 - SR("Dolomite-dis")^teta)^eta</statement>
          <statement>if rate < 0 then rate = 0</statement>
          <statement>moles = rate * time</statement>
          <statement>save moles</statement>
        </expression>
      </rate>
      <rate>
        <kinetic_reactant>Illite</kinetic_reactant>
        <expression>
          <statement>if (M <= 0) then goto 25</statement>
          <statement>R = 8.314472</statement>
          <statement>deltaT = 1/TK - 1/298.15</statement>
          <statement>logK25 = -12.71</statement>
          <statement>Ea = 48000</statement>
          <statement>ny = 0.22</statement>
          <statement>mech_a = (10^logK25) * ACT("H+")^ny * EXP(- Ea / R * deltaT)</statement>
          <statement>logK25 = -14.41</statement>
          <statement>Ea = 48000</statement>
          <statement>mech_b = (10^logK25) * EXP(- Ea / R * deltaT)</statement>
          <statement>logK25 = -14.41</statement>
          <statement>Ea = 48000</statement>
          <statement>ny = 0.13</statement>
          <statement>mech_c = (10^logK25) * SR("CO2(g)")^ny * EXP(- Ea / R * deltaT)</statement>
          <statement>K_temp = mech_a + mech_b + mech_c</statement>
          <statement>teta = 1</statement>
          <statement>eta = 1</statement>
          <statement>molar_volume = 6.439e-5</statement>
          <statement>bulk_volume = molar_volume * PARM(1)</statement>
          <statement>specific_surface_area = 20</statement>
          <statement>surface_area = specific_surface_area * bulk_volume</statement>
          <statement>rate = surface_area * K_temp * (1 - SR("Illite")^teta)^eta</statement>
          <statement>if rate < 0 then rate = 0</statement>
          <statement>moles = rate * time</statement>
          <statement>save moles</statement>
        </expression>
      </rate>
      <rate>
        <kinetic_reactant>Kaolinite</kinetic_reactant>
        <expression>
          <statement>if (M <= 0) then goto 25</statement>
          <statement>R = 8.314472</statement>
          <statement>deltaT = 1/TK - 1/298.15</statement>
          <statement>logK25 = -11.31</statement>
          <statement>Ea = 65900</statement>
          <statement>ny = 0.777</statement>
          <statement>mech_a = (10^logK25) * ACT("H+")^ny * EXP(- Ea / R * deltaT)</statement>
          <statement>logK25 = -13.18</statement>
          <statement>Ea = 22200</statement>
          <statement>mech_b = (10^logK25) * EXP(- Ea / R * deltaT)</statement>
          <statement>logK25 = -17.05</statement>
          <statement>Ea = 17900</statement>
          <statement>ny = 0.472</statement>
          <statement>mech_c = (10^logK25) * SR("CO2(g)")^ny * EXP(- Ea / R * deltaT)</statement>
          <statement>K_temp = mech_a + mech_b + mech_c</statement>
          <statement>teta = 1</statement>
          <statement>eta = 1</statement>
          <statement>molar_volume = 6.439e-5</statement>
          <statement>bulk_volume = molar_volume * PARM(1)</statement>
          <statement>specific_surface_area = 20</statement>
          <statement>surface_area = specific_surface_area * bulk_volume</statement>
          <statement>rate = surface_area * K_temp * (1 - SR("Kaolinite")^teta)^eta</statement>
          <statement>if rate < 0 then rate = 0</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>0.15</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>c0_H</name>
      <type>Constant</type>
      <value>1e-7</value>
    </parameter>
    <parameter>
      <name>c0_c4</name>
      <type>Constant</type>
      <value>3.89e-3</value>
    </parameter>
    <parameter>
      <name>c0_ca</name>
      <type>Constant</type>
      <value>1.89e-2</value>
    </parameter>
    <parameter>
      <name>c0_mg</name>
      <type>Constant</type>
      <value>2.197e-2</value>
    </parameter>
    <parameter>
      <name>c0_Cl</name>
      <type>Constant</type>
      <value>3.2667e-1</value>
    </parameter>
    <parameter>
      <name>c0_K</name>
      <type>Constant</type>
      <value>1.92e-3</value>
    </parameter>
    <parameter>
      <name>c0_Na</name>
      <type>Constant</type>
      <value>2.8067e-1</value>
    </parameter>
    <parameter>
      <name>c0_S(6)</name>
      <type>Constant</type>
      <value>1.679e-2</value>
    </parameter>
    <parameter>
      <name>c0_Al</name>
      <type>Constant</type>
      <value>2.295e-10</value>
    </parameter>
    <parameter>
      <name>c0_Si</name>
      <type>Constant</type>
      <value>1.7e-5</value>
    </parameter>
    <parameter>
      <name>c0_Sr</name>
      <type>Constant</type>
      <value>4.6e-5</value>
    </parameter>
  </parameters>
  <process_variables>
    <process_variable>
      <name>pressure</name>
      <components>1</components>
      <order>1</order>
      <initial_condition>p0</initial_condition>
      <boundary_conditions />
    </process_variable>
    <process_variable>
      <name>C(4)</name>
      <components>1</components>
      <order>1</order>
      <initial_condition>c0_c4</initial_condition>
      <boundary_conditions />
    </process_variable>
    <process_variable>
      <name>Ca</name>
      <components>1</components>
      <order>1</order>
      <initial_condition>c0_ca</initial_condition>
      <boundary_conditions />
    </process_variable>
    <process_variable>
      <name>Mg</name>
      <components>1</components>
      <order>1</order>
      <initial_condition>c0_mg</initial_condition>
      <boundary_conditions />
    </process_variable>
    <process_variable>
      <name>Cl</name>
      <components>1</components>
      <order>1</order>
      <initial_condition>c0_Cl</initial_condition>
      <boundary_conditions />
    </process_variable>
    <process_variable>
      <name>K</name>
      <components>1</components>
      <order>1</order>
      <initial_condition>c0_K</initial_condition>
      <boundary_conditions />
    </process_variable>
    <process_variable>
      <name>Na</name>
      <components>1</components>
      <order>1</order>
      <initial_condition>c0_Na</initial_condition>
      <boundary_conditions />
    </process_variable>
    <process_variable>
      <name>S(6)</name>
      <components>1</components>
      <order>1</order>
      <initial_condition>c0_S(6)</initial_condition>
      <boundary_conditions />
    </process_variable>
    <process_variable>
      <name>Al</name>
      <components>1</components>
      <order>1</order>
      <initial_condition>c0_Al</initial_condition>
      <boundary_conditions />
    </process_variable>
    <process_variable>
      <name>Si</name>
      <components>1</components>
      <order>1</order>
      <initial_condition>c0_Si</initial_condition>
      <boundary_conditions />
    </process_variable>
    <process_variable>
      <name>Sr</name>
      <components>1</components>
      <order>1</order>
      <initial_condition>c0_Sr</initial_condition>
      <boundary_conditions />
    </process_variable>
    <process_variable>
      <name>H</name>
      <components>1</components>
      <order>1</order>
      <initial_condition>c0_H</initial_condition>
      <boundary_conditions />
    </process_variable>
  </process_variables>
  <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>
      <eigen>
        <solver_type>PardisoLU</solver_type>
      </eigen>
    </linear_solver>
  </linear_solvers>
  <test_definition>
    <vtkdiff>
      <regex>disso_opa_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>disso_opa_ts_[0-9]*_t_[0-9]*.000000.vtu</regex>
      <field>Ca</field>
      <absolute_tolerance>1e-10</absolute_tolerance>
      <relative_tolerance>1e-16</relative_tolerance>
    </vtkdiff>
    <vtkdiff>
      <regex>disso_opa_ts_[0-9]*_t_[0-9]*.000000.vtu</regex>
      <field>Mg</field>
      <absolute_tolerance>1e-10</absolute_tolerance>
      <relative_tolerance>1e-16</relative_tolerance>
    </vtkdiff>
    <vtkdiff>
      <regex>disso_opa_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>