<?xml version="1.0"?>
<ctml>
  <validate reactions="yes" species="yes"/>

  <!-- phase KLiCl(L)    -->
  <!--
         Ok, the eutectic is measured to be X_b = X_LiCl = 0.595
         and 355 C = 628.15
    -->
  <phase dim="3" id="MoltenSalt_electrolyte">
    <elementArray datasrc="elements.xml">
       Li K Cl
    </elementArray>
    <speciesArray datasrc="#species_MoltenSalt">
        LiCl(L) KCl(L)
    </speciesArray>
    <thermo model="Margules">
      <!--
       <variablePressureStandardStateManager model="constvol" />
     -->
      <standardConc model="constant_volume" />
      <activityCoefficients model="Margules" TempModel="constant">

        <binaryNeutralSpeciesParameters speciesA="KCl(L)" speciesB="LiCl(L)">
          <excessEnthalpy model="poly_Xb" terms="2" units="J/gmol">
                  -17570., -377
          </excessEnthalpy>
          <excessEntropy model="poly_Xb" terms="2" units="J/gmol/K">
                 -7.627, 4.958
          </excessEntropy>
        </binaryNeutralSpeciesParameters>

      </activityCoefficients>
    </thermo>
    <transport model="None"/>
    <kinetics model="none"/>
  </phase>

  <!-- species definitions     -->
  <speciesData id="species_MoltenSalt">


    <species name="Li+">
      <atomArray> Li:1 </atomArray>
      <charge> 1 </charge>
      <specialSpecies/>
      <thermo>
        <pseudoSpecies>
            LiCl(L)
        </pseudoSpecies>
        <Shomate Pref="1 bar" Tmax="2000.0" Tmin="700.0">
          <floatArray size="7">
             0.0, 0.0, 0.0,
             0.0, 0.0, 0.0,
             0.0
          </floatArray>
        </Shomate>
      </thermo>
      <density units="g/cm3"> 0.0 </density>
    </species>



    <species name="K+">
      <atomArray> K:1 </atomArray>
      <charge> 1 </charge>
      <thermo>
        <pseudoSpecies>
            KCl(L)
        </pseudoSpecies>
      </thermo>
      <density units="g/cm3"> 0.0 </density>
    </species>



    <species name="Cl-">
      <atomArray> Cl- </atomArray>
      <charge> -1 </charge>
      <thermo>
        <pseudoSpecies>
            LiCl(L)
        </pseudoSpecies>
      </thermo>
      <density units="g/cm3"> 0.0 </density>
    </species>



    <species name="KCl(L)">
      <atomArray> K:1 Cl:1 </atomArray>
      <thermo>
        <Shomate Pref="1 bar" Tmax="2000.0" Tmin="700.0">
          <floatArray size="7">
           73.59698,  0.0,      0.0,
           0.0,       0.0,      -443.7341,
           175.7209
          </floatArray>
        </Shomate>
      </thermo>
      <standardState model="constant_incompressible">
        <molarVolume units="cm3/gmol"> 37.57 </molarVolume>
        <!--
        <density units="g/cm3"> 1.984 </density>
        -->
      </standardState>
    </species>

    <species name="LiCl(L)">
      <atomArray> Li:1 Cl:1 </atomArray>
      <thermo>
        <Shomate Pref="1 bar" Tmax="2000.0" Tmin="700.0">
          <floatArray size="7">
           73.18025, -9.047232, -0.316390,
           0.079587, 0.013594, -417.1314,
           157.6711
          </floatArray>
        </Shomate>
      </thermo>
      <standardState model="constant_incompressible">
        <molarVolume units="cm3/gmol"> 20.304 </molarVolume>
        <!--
        <density units="g/cm3"> 2.07 </density>
         -->
      </standardState>
    </species>



  </speciesData>

</ctml>
