<?xml version="1.0"?>
<ctml>
  <phase id="NaCl_electrolyte" dim="3">
    <speciesArray datasrc="#species_waterSolution">
               H2O(L) Cl- H+ Na+ OH-
    </speciesArray>
    <state>
      <temperature units="K"> 298.15 </temperature>
      <pressure units="Pa"> 101325.0 </pressure>
      <soluteMolalities>
             Na+:6.0954
             Cl-:6.0954
             H+:2.1628E-9
             OH-:1.3977E-6
      </soluteMolalities>
    </state>
    <!-- thermo model identifies the inherited class 
         from ThermoPhase that will handle the thermodynamics.
      -->
    <thermo model="HMW">
       <activityCoefficients>
                <!-- A_Debye units = sqrt(kg/gmol)
                     This is adjusted to match the GWB value so 
                     that numerical comparisons can be made
                     Aln = 0.5107
                  -->
                <A_Debye> 1.175930 </A_Debye>
                <!-- B_Debye units = sqrt(kg/gmol)/m
                  -->
                <B_Debye> 3.28640E9 </B_Debye>
                <binarySaltParameters cation="Na+" anion="Cl-">
                  <beta0> 0.0765 </beta0>
                  <beta1> 0.2664 </beta1>
                  <beta2> 0.0    </beta2>
                  <Cphi> 0.00127 </Cphi>
                  <Alpha1> 2.0 </Alpha1>
                </binarySaltParameters>

                <binarySaltParameters cation="H+" anion="Cl-">
                  <beta0> 0.1775 </beta0>
                  <beta1> 0.2945 </beta1>
                  <beta2> 0.0    </beta2>
                  <Cphi> 0.0008 </Cphi>
                  <Alpha1> 2.0 </Alpha1>
                </binarySaltParameters>

                <binarySaltParameters cation="Na+" anion="OH-">
                  <beta0> 0.0864 </beta0>
                  <beta1> 0.253 </beta1>
                  <beta2> 0.0    </beta2>
                  <Cphi> 0.0044 </Cphi>
                  <Alpha1> 2.0 </Alpha1>
                </binarySaltParameters>

                <thetaAnion anion1="Cl-" anion2="OH-">
                  <theta> -0.05 </theta>
                </thetaAnion>

                <psiCommonCation cation="Na+" anion1="Cl-" anion2="OH-">
                  <Psi> -0.006 </Psi>
                </psiCommonCation>

                <thetaCation cation1="Na+" cation2="H+">
                  <theta> 0.036 </theta>
                </thetaCation>

                <psiCommonAnion anion="Cl-" cation1="Na+" cation2="H+">
                  <Psi> -0.004 </Psi>
                </psiCommonAnion>

       </activityCoefficients>
    </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="waterIAPWS"> 
      </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>

  </speciesData>

</ctml>
