<?xml version="1.0"?>
<ctml>

  <phase id="NaCl_electrolyte" dim="3">
    <speciesArray datasrc="#species_waterSolution">
               H2O(L) Na+ Cl- H+ OH- NaCl(aq) NaOH(aq)
               NaH3SiO4(aq) SiO2(aq) H3SiO4-          
    </speciesArray>
    <state>
      <temperature units="K"> 300  </temperature>
      <pressure units="Pa">101325.0</pressure>
      <soluteMolalities>
             Na+:3.0
             Cl-:3.0
             H+:1.0499E-8
             OH-:1.3765E-6
             NaCl(aq):0.98492
             NaOH(aq):3.8836E-6
             NaH3SiO4(aq):6.8798E-5
             SiO2(aq):3.0179E-5
             H3SiO4-:1.0231E-6
      </soluteMolalities>
    </state>
    <!-- thermo model identifies the inherited class 
         from ThermoPhase that will handle the thermodynamics.
      -->
    <thermo model="DebyeHuckel">
       <standardConc model="solvent_volume" />
       <activityCoefficients model="Pitzer_with_Beta_ij">
                <!-- A_Debye units = sqrt(kg/gmol)
                  -->
                <A_Debye> 1.172576 </A_Debye>
                <!-- B_Debye units = sqrt(kg/gmol)/m
                  -->
                <B_Debye> 3.28640E9 </B_Debye>
                <ionicRadius default="3.042843"  units="Angstroms">
                </ionicRadius>
                <DHBetaMatrix>
                  H+:Cl-:0.27
                  Na+:Cl-:0.15
                  Na+:OH-:0.06
                </DHBetaMatrix>
                <stoichIsMods>
                   NaCl(aq):-1.0
                </stoichIsMods>
                <electrolyteSpeciesType>
                   H+:chargedSpecies
                   NaCl(aq):weakAcidAssociated
                </electrolyteSpeciesType>
       </activityCoefficients>
       <solvent> H2O(L) </solvent>
    </thermo>
    <elementArray datasrc="elements.xml"> O H C E Fe Si N Na Cl </elementArray>
  </phase>

  <speciesData id="species_waterSolution">

    <!-- species H2O(L)    -->
    <species name="H2O(L)">
      <atomArray>H:2 O:1 </atomArray>
      <thermo>
        <NASA Tmax="600.0" Tmin="273.14999999999998" P0="100000.0">
           <floatArray name="coeffs" size="7">
             7.255750050E+01,  -6.624454020E-01,   2.561987460E-03,  -4.365919230E-06,
             2.781789810E-09,  -4.188654990E+04,  -2.882801370E+02
           </floatArray>
        </NASA>
      </thermo>
      <standardState model="constant_incompressible"> 
         <molarVolume> 0.05555555 </molarVolume>
      </standardState>
    </species>
                                               
    <species name="Na+">
      <atomArray> Na:1 E:-1 </atomArray>
      <charge> +1 </charge>
      <thermo>
       <Mu0 Pref="100000.0" Tmax="1000.0" Tmin="200.0">
         <H298 units="cal/mol"> 0.0  </H298>
         <numPoints> 2            </numPoints>
         <floatArray size="2" title="Mu0Values" units="Dimensionless">
             -125.5213,  -125.5213       
         </floatArray>
          <floatArray size="2" title="Mu0Temperatures">
             298.15,    333.15
          </floatArray>
       </Mu0>
      </thermo>
      <standardState model="constant_incompressible"> 
         <molarVolume> 1.3 </molarVolume>
      </standardState>
    </species>

    <species name="Cl-">
      <atomArray> Cl:1 E:1 </atomArray>
      <charge> -1 </charge>
      <standardState model="constant_incompressible"> 
          <molarVolume> 1.3 </molarVolume>
      </standardState>
      <thermo>
        <Mu0 Pref="100000.0" Tmax="333." Tmin="298.">
         <H298 units="cal/mol"> 0.0  </H298>
         <numPoints> 2            </numPoints>
         <floatArray size="2" title="Mu0Values" units="Dimensionless">
            -52.8716 , -52.8716       
         </floatArray>
          <floatArray size="2" title="Mu0Temperatures">
             298.15,    333.15
          </floatArray>
        </Mu0>
      </thermo>
     </species>

    <species name="H+">
      <atomArray> H:1 E:-1 </atomArray>
      <charge> +1 </charge>
      <standardState model="constant_incompressible"> 
          <molarVolume> 1.3 </molarVolume>
      </standardState>
      <thermo>
        <Mu0 Pref="100000.0" Tmax="333." Tmin="298.">
         <H298 units="cal/mol"> 0.0  </H298>
         <numPoints> 2            </numPoints>
         <floatArray size="2" title="Mu0Values" units="Dimensionless">
            0.0 , 0.0       
         </floatArray>
          <floatArray size="2" title="Mu0Temperatures">
             298.15,    333.15
          </floatArray>
        </Mu0>
      </thermo>
     </species>

    <species name="OH-">
      <atomArray> O:1 H:1 E:1 </atomArray>
      <charge> -1 </charge>
      <standardState model="constant_incompressible"> 
          <molarVolume> 1.3 </molarVolume>
      </standardState>
      <thermo>
        <Mu0 Pref="100000.0" Tmax="333." Tmin="298.">
         <H298 units="cal/mol"> 0.0  </H298>
         <numPoints> 2            </numPoints>
         <floatArray size="2" title="Mu0Values" units="Dimensionless">
            -91.523 ,  -91.523     
         </floatArray>
          <floatArray size="2" title="Mu0Temperatures">
             298.15,    333.15
          </floatArray>
        </Mu0>
      </thermo>
     </species>

    <species name="NaCl(aq)">
      <atomArray> Na:1 Cl:1 </atomArray>
      <charge> 0 </charge>
      <stoichIsMods> -1.0 </stoichIsMods>
      <electrolyteSpeciesType> weakAcidAssociated </electrolyteSpeciesType>
      <standardState model="constant_incompressible"> 
          <molarVolume> 1.3 </molarVolume>
      </standardState>
      <thermo>
        <Mu0 Pref="100000.0" Tmax="333." Tmin="298.">
         <H298 units="cal/mol"> 0.0  </H298>
         <numPoints> 2            </numPoints>
         <floatArray size="2" title="Mu0Values" units="Dimensionless">
            -63.47 ,  -63.47      
         </floatArray>
          <floatArray size="2" title="Mu0Temperatures">
             298.15,    333.15
          </floatArray>
        </Mu0>
      </thermo>
     </species>

    <species name="SiO2(aq)">
      <atomArray> Si:1 O:2 </atomArray>
      <charge> 0 </charge>
      <stoichIsMods> 0.0 </stoichIsMods>
      <electrolyteSpeciesType> nonpolarNeutral </electrolyteSpeciesType>
      <standardState model="constant_incompressible"> 
          <molarVolume> 1.3 </molarVolume>
      </standardState>
      <thermo>
        <Mu0 Pref="100000.0" Tmax="333." Tmin="298.">
         <H298 units="cal/mol"> 0.0  </H298>
         <numPoints> 2            </numPoints>
         <floatArray size="2" title="Mu0Values" units="Dimensionless">
            -63.47 ,  -63.47      
         </floatArray>
          <floatArray size="2" title="Mu0Temperatures">
             298.15,    333.15
          </floatArray>
        </Mu0>
      </thermo>
    </species>


    <species name="NaOH(aq)">
      <atomArray> Na:1 O:1 H:1 </atomArray>
      <charge> 0 </charge>
      <stoichIsMods> -1.0 </stoichIsMods>
      <electrolyteSpeciesType> weakAcidAssociated </electrolyteSpeciesType>
      <standardState model="constant_incompressible"> 
          <molarVolume> 1.3 </molarVolume>
      </standardState>
      <thermo>
        <Mu0 Pref="100000.0" Tmax="333." Tmin="298.">
         <H298 units="cal/mol"> 0.0  </H298>
         <numPoints> 2            </numPoints>
         <floatArray size="2" title="Mu0Values" units="Dimensionless">
            -63.47 ,  -63.47      
         </floatArray>
          <floatArray size="2" title="Mu0Temperatures">
             298.15,    333.15
          </floatArray>
        </Mu0>
      </thermo>
     </species>


    <species name="H3SiO4-">
      <atomArray> Si:1 O:4 H:3 E:1 </atomArray>
      <charge> -1 </charge>
      <stoichIsMods> -1.0 </stoichIsMods>
      <electrolyteSpeciesType> chargedSpecies </electrolyteSpeciesType>
      <standardState model="constant_incompressible"> 
          <molarVolume> 1.3 </molarVolume>
      </standardState>
      <thermo>
        <Mu0 Pref="100000.0" Tmax="333." Tmin="298.">
         <H298 units="cal/mol"> 0.0  </H298>
         <numPoints> 2            </numPoints>
         <floatArray size="2" title="Mu0Values" units="Dimensionless">
            -63.47 ,  -63.47      
         </floatArray>
          <floatArray size="2" title="Mu0Temperatures">
             298.15,    333.15
          </floatArray>
        </Mu0>
      </thermo>
     </species>


    <species name="NaH3SiO4(aq)">
      <atomArray> Na:1 Si:1 O:4 H:3 </atomArray>
      <charge> 0 </charge>
      <stoichIsMods> -1.0 </stoichIsMods>
      <electrolyteSpeciesType> weakAcidAssociated </electrolyteSpeciesType>
      <standardState model="constant_incompressible"> 
          <molarVolume> 1.3 </molarVolume>
      </standardState>
      <thermo>
        <Mu0 Pref="100000.0" Tmax="333." Tmin="298.">
         <H298 units="cal/mol"> 0.0  </H298>
         <numPoints> 2            </numPoints>
         <floatArray size="2" title="Mu0Values" units="Dimensionless">
            -63.47 ,  -63.47      
         </floatArray>
          <floatArray size="2" title="Mu0Temperatures">
             298.15,    333.15
          </floatArray>
        </Mu0>
      </thermo>
     </species>


  </speciesData>

</ctml>
