<?xml version="1.0"?>
<!--The data in this file are totally made up just to test the CTML->YAML converter-->
<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="IdealMolalSolution">
      <standardConc model="solvent_volume" />
      <activityCoefficients model="IdealMolalSoln">
        <idealMolalSolnCutoff model="none">
          <gamma_o_limit>1.0</gamma_o_limit>
          <gamma_k_limit>1.0</gamma_k_limit>
          <X_o_cutoff>1.0</X_o_cutoff>
          <c_0_param>1.0</c_0_param>
          <slope_f_limit>1.0</slope_f_limit>
          <slope_g_limit>1.0</slope_g_limit>
        </idealMolalSolnCutoff>
      </activityCoefficients>
    </thermo>
    <elementArray datasrc="elements.xml"> O H C E Fe Si N Na Cl </elementArray>
    <kinetics model="none" />
  </phase>

  <speciesData id="species_waterSolution">


    <species name="H2O(L)">
      <!-- H2O(L) liquid standard state -> pure H2O
           The origin of the NASA polynomial is a bit murky. It does
           fit the vapor pressure curve at 298K adequately.
        -->
      <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">
        <!--
              Molar volume in m3 kmol-1.
              (this is from Pitzer, Peiper, and Busey. However,
               the result can be easily derived from ~ 1gm/cm**3)
                <molarVolume> 0.018068 </molarVolume>
           -->
      </standardState>
    </species>

    <species name="Na+">
      <!-- Na+ rework. Differences in the delta_G0 reaction
           for salt formation were dumped into this polynomial.
       -->
      <atomArray> Na:1 E:-1 </atomArray>
      <charge> +1 </charge>
      <thermo>
        <Shomate Pref="1 bar" Tmax="   593.15" Tmin="   293.15">
          <floatArray size="7">
           -57993.47558    ,   305112.6040    ,  -592222.1591    ,
            401977.9827    ,   804.4195980    ,   10625.24901    ,
           -133796.2298
          </floatArray>
        </Shomate>
      </thermo>

      <standardState model="constant_incompressible">
        <!-- Na+ (aq) molar volume
              Molar volume in m3 kmol-1.
              (this is from Pitzer, Peiper, and Busey. We divide
               NaCl (aq) value by 2 to get this)
           -->
        <molarVolume> 0.00834 </molarVolume>
      </standardState>
    </species>

    <species name="Cl-">
      <!-- Cl- (aq) standard state based on the unity molality convention
           The Shomate polynomial was created from the SUPCRT92
           J. Phys Chem Ref article, and the CODATA recommended
           values. DelHf(298.15) = -167.08 kJ/gmol
                       S(298.15) = 56.60 J/gmolK
           There was a slight discrepancy between those two, which was
           resolved in favor of CODATA.
           Notes: the order of the polynomials can be decreased by
                  dropping terms from the complete Shomate poly.
       -->
      <atomArray> Cl:1 E:1 </atomArray>
      <charge> -1 </charge>

      <standardState model="constant_incompressible">
        <!-- Cl- (aq) molar volume
              Molar volume in m3 kmol-1.
              (this is from Pitzer, Peiper, and Busey. We divide
               NaCl (aq) value by 2 to get this)
           -->
        <molarVolume> 0.00834 </molarVolume>
      </standardState>
      <thermo>
        <Shomate Pref="1 atm" Tmax="   623.15" Tmin="   298.00">
          <floatArray size="7">
             56696.2042    ,   -297835.978    ,    581426.549    ,
            -401759.991    ,   -804.301136    ,   -10873.8257    ,
             130650.697
          </floatArray>
        </Shomate>
      </thermo>
    </species>

    <species name="H+">
      <!-- H+ (aq) standard state based on the unity molality convention
           The H+ standard state is set to zeroes by convention. This
           includes it's contribution to the molar volume of solution.
        -->
      <atomArray> H:1 E:-1 </atomArray>
      <charge> +1 </charge>
      <standardState model="constant_incompressible">
        <molarVolume> 0.0 </molarVolume>
      </standardState>
      <thermo>
        <Mu0 Pref="100000.0" Tmax="625.15" Tmin="273.15">
          <H298 units="cal/mol"> 0.0  </H298>
          <numPoints> 3            </numPoints>
          <floatArray size="3" title="Mu0Values" units="Dimensionless">
            0.0 , 0.0, 0.0
          </floatArray>
          <floatArray size="3" title="Mu0Temperatures">
             273.15,    298.15 , 623.15
          </floatArray>
        </Mu0>
      </thermo>
    </species>

    <species name="OH-">
      <!-- OH- (aq) standard state based on the unity molality convention
           The Shomate polynomial was created with data from the SUPCRT92
           J. Phys Chem Ref article, and from the CODATA recommended
           values. DelHf(298.15) = -230.015 kJ/gmol
                       S(298.15) = -10.90 J/gmolK
           There was a slight discrepancy between those two, which was
           resolved in favor of CODATA.
           Notes: the order of the polynomials can be decreased by
                  dropping terms from the complete Shomate poly.
       -->
      <atomArray> O:1 H:1 E:1 </atomArray>
      <charge> -1 </charge>
      <standardState model="constant_incompressible">
        <!-- OH- (aq) molar volume
               This value is currently made up.
            -->
        <molarVolume> 0.00834 </molarVolume>
      </standardState>
      <thermo>
        <Shomate Pref="1 atm" Tmax="   623.15" Tmin="   298.00">
          <floatArray size="7">
            44674.99961    ,  -234943.0414    ,   460522.8260    ,
           -320695.1836    ,  -638.5044716    ,  -8683.955813    ,
            102874.2667
          </floatArray>
        </Shomate>
      </thermo>
    </species>

  </speciesData>

</ctml>
