<ctml>
  <validate reactions="yes" species="yes" />
                   
 
  <phase dim="3" id="PC88A_liquid">
    <elementArray datasrc="elementz.xml">
        Cl O H C P Nd Pr Ce La Dy Y Sm dummy 
    </elementArray>
    <speciesArray datasrc="#species_PC88A_liquid">
      (HA)2(org) dodecane Dy(H(A)2)3(org)
    </speciesArray>
    <state>
      <temperature units="K"> 298.15 </temperature>
      <pressure units="Pa"> 100000.0 </pressure>
      <soluteMolalities>
        (HA)2(org): 0.25
      </soluteMolalities>
    </state>
    <thermo model="IdealSolidSolution">
       <standardConc model="molar_volume" />
    </thermo>
    <standardConc model="molar_volume" />
    <transport model="None" />
    <kinetics model="none" />
  </phase>

 
  <speciesData id="species_PC88A_liquid">


    <species name="(HA)2(org)">
      <atomArray> C:16 H:35 O:3 P:1 </atomArray>
      <thermo>
        <const_cp Tmax="300.0" Tmin="298.0">
          <t0 units="K">298.14999999999998</t0>
          <h0 units="J/mol" updated="Updated at 15:11 7-31-2020">-1460300.0</h0>
          <s0 units="J/mol/K"> 558.9824 </s0>
          <cp0 units="J/mol/K"> 0.0</cp0>
        </const_cp>
      </thermo>
      <standardState model="constant_incompressible">
        <molarVolume updated="yep">0.32</molarVolume>
      </standardState>
    </species>



    <species name="Dy(H(A)2)3(org)">
      <atomArray> C:48 H:102 O:9 P:3 Dy:1 </atomArray>
      <thermo>
        <const_cp Tmax="300.0" Tmin="298.0">
          <t0 units="K">298.14999999999998</t0>

          <h0 units="J/mol" updated="Updated at 15:11 7-31-2020">-5177400.0</h0>
          <s0 units="J/mol/K"> 1117.965 </s0>
          <cp0 units="J/mol/K">0.0</cp0>
        </const_cp>
      </thermo>
      <standardState model="constant_incompressible">
        <molarVolume updated="yep">0.94</molarVolume>
      </standardState>
    </species>

    
    
    <species name="dodecane">
      <atomArray> dummy:1  </atomArray>  
      
      <thermo>
        <const_cp Tmax="300.0" Tmin="298.0">
	   <t0 units="K">298.14999999999998</t0> 
	   <h0 units="J/mol"> 0.0 </h0> 
	   <s0 units="J/mol/K"> 0.0 </s0>  
           <cp0 units="J/mol/K">0.0</cp0>
        </const_cp>
      </thermo>
     <standardState model="constant_incompressible">
	     <molarVolume> 0.227113 </molarVolume>  
      </standardState>
    </species>

  </speciesData>



  <phase dim="3" id="HCl_electrolyte">
    <speciesArray datasrc="#species_waterSolution">
      H2O(L) H+ OH- Cl- Dy+++
    </speciesArray>

    <state>
      <temperature units="K"> 298.15 </temperature>
      <pressure units="Pa"> 100000.0 </pressure>
      <soluteMolalities>
        Cl-: 1.0E-7
        H+: 1.0E-7
      </soluteMolalities>
    </state>

    <thermo model="HMW">
      <standardConc model="solvent_volume" />
      <activityCoefficients TempModel="complex1" model="Pitzer">
        
        <A_Debye model="water" />
        <ionicRadius default="3.042843" units="Angstroms">
        </ionicRadius>
        <binarySaltParameters anion="Cl-" cation="H+">
          <beta0> 0.177000779, 0.000125778, 0.0, -33.4777082, -0.262214535 </beta0>
          <beta1> 0.292922504, -0.027938838, 0.0, 3402.47027, 19.7936248 </beta1>
          <beta2> 0.0, 0.0, 0.0, 0.0, 0.0 </beta2>
          <Cphi>  0.000362, -0.00003036, 0.0, -2.91038E-11, 0.0 </Cphi>
          <Alpha1> 2 </Alpha1>
          <Alpha2> 12 </Alpha2>
          <source>
            refit of Holmes, H.F., Busey, J.M., Simonson, J.M., Mesmer, R.E.,
            Archer, D.G., and Wood, R.H., 1987, The enthalpy of dilution of HCl(aq)
            to 648 K and 4p MPa.  Thermodynamic properties, Journal of Chemical
            Thermodynamics, v. 19, p. 863-890.
          </source>
        </binarySaltParameters>

        

        

      </activityCoefficients>
      <solvent> H2O(L) </solvent>
    </thermo>
    
    <elementArray datasrc="elementz.xml"> O H Nd Pr Ce La Dy Y C N Cl P E </elementArray>
    <kinetics model="none">
    </kinetics>
  </phase>

  <speciesData id="species_waterSolution">

    <species name="H2O(L)">
      
      <atomArray>H:2 O:1 </atomArray>
      <thermo>
        <NASA P0="100000.0" Tmax="600.0" Tmin="273.14999999999998">
          <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="waterPDSS">
        
        <molarVolume> 0.018068 </molarVolume>
      </standardState>
    </species>


    <species name="OH-">
      <speciesChemFormula> OH- </speciesChemFormula>
      <atomArray> O:1 H:1 </atomArray>
      <charge> -1 </charge>
      <thermo model="HKFT">
        <HKFT Pref="1 atm" Tmax="625.15" Tmin="298.15">
          <DG0_f_Pr_Tr units="cal/gmol"> -37595 </DG0_f_Pr_Tr>
          <DH0_f_Pr_Tr units="cal/gmol"> -54977 </DH0_f_Pr_Tr>
          <S0_Pr_Tr units="cal/gmol/K"> -2.56 </S0_Pr_Tr>
        </HKFT>
      </thermo>
      <standardState model="HKFT">
        <a1 units="cal/gmol/bar"> 0.12527 </a1>
        <a2 units="cal/gmol"> 7.38 </a2>
        <a3 units="cal-K/gmol/bar"> 1.8423 </a3>
        <a4 units="cal-K/gmol"> -27821 </a4>
        <c1 units="cal/gmol/K"> 4.15 </c1>
        <c2 units="cal-K/gmol"> -103460 </c2>
        <omega_Pr_Tr units="cal/gmol"> 172460 </omega_Pr_Tr>
        <molarVolume units="cm3/mol"> -4.18 </molarVolume>
      </standardState>
      <source>
        ref:G9
      </source>
    </species>

    <species name="NO3-">
      <speciesChemFormula> NO3- </speciesChemFormula>
      <atomArray> N:1 O:3 </atomArray>
      <charge> -1 </charge>
      <thermo model="HKFT">
        <HKFT Pref="1 atm" Tmax="625.15" Tmin="298.15">
          <DG0_f_Pr_Tr units="cal/gmol"> -26507 </DG0_f_Pr_Tr>
          <DH0_f_Pr_Tr units="cal/gmol"> -49429 </DH0_f_Pr_Tr>
          <S0_Pr_Tr units="cal/gmol/K"> 35.12 </S0_Pr_Tr>
        </HKFT>
      </thermo>
      <standardState model="HKFT">
        <a1 units="cal/gmol/bar"> 0.73161 </a1>
        <a2 units="cal/gmol"> 678.24 </a2>
        <a3 units="cal-K/gmol/bar"> -4.6838 </a3>
        <a4 units="cal-K/gmol"> -30594 </a4>
        <c1 units="cal/gmol/K"> 7.7 </c1>
        <c2 units="cal-K/gmol"> -67250 </c2>
        <omega_Pr_Tr units="cal/gmol"> 109770 </omega_Pr_Tr>
        <molarVolume units="cm3/mol"> 29.0 </molarVolume>
      </standardState>
      <source>
        ref:G9
      </source>
    </species>


    

    
    
    <species name="Cl-">
      <speciesChemFormula> Cl- </speciesChemFormula>
      <atomArray> Cl:1 </atomArray>
      <charge> -1 </charge>
      <thermo model="HKFT">
        <HKFT Pref="1 atm" Tmax="625.15" Tmin="273.15">
          <DG0_f_Pr_Tr units="cal/gmol"> -31379 </DG0_f_Pr_Tr>
          <DH0_f_Pr_TR units="cal/gmol"> -39933 </DH0_f_Pr_TR>
          <S0_Pr_Tr units="cal/gmol/K"> 13.56 </S0_Pr_Tr>
        </HKFT>
      </thermo>
      <standardState model="HKFT">
        <a1 units="cal/mol/bar"> 0.4032 </a1>
        <a2 units="cal/mol"> 480.1 </a2>
        <a3 units="cal-K/mol/bar"> 5.563 </a3>
        <a4 units="cal-K/mol"> -28470 </a4>
        <c1 units="cal/mol/K"> -4.4 </c1>
        <c2 units="cal-K/mol"> -57140 </c2>
        <omega_Pr_Tr units="cal/mol"> 145600 </omega_Pr_Tr>
        <molarVolume units="cm3/mol"> 17.79 </molarVolume>
      </standardState>
      <source> ref:G9 </source>
    </species>

    <species name="H+">
      <speciesChemFormula> H+ </speciesChemFormula>
      <atomArray> H:1 </atomArray>
      <charge> +1 </charge>
      <thermo model="HKFT">
        <HKFT Pref="1 atm" Tmax="625.15" Tmin="273.15">
          <DG0_f_Pr_Tr units="cal/gmol"> 0 </DG0_f_Pr_Tr>
          <DH0_f_Pr_TR units="cal/gmol"> 0 </DH0_f_Pr_TR>
          <S0_Pr_Tr units="cal/gmol/K"> 0 </S0_Pr_Tr>
        </HKFT>
      </thermo>
      <standardState model="HKFT">
        <a1 units="cal/mol/bar"> 0 </a1>
        <a2 units="cal/mol"> 0 </a2>
        <a3 units="cal-K/mol/bar"> 0 </a3>
        <a4 units="cal-K/mol"> 0 </a4>
        <c1 units="cal/mol/K"> 0 </c1>
        <c2 units="cal-K/mol"> 0 </c2>
        <omega_Pr_Tr units="cal/mol"> 0 </omega_Pr_Tr>
        <molarVolume units="cm3/mol"> 0 </molarVolume>
      </standardState>
      <source> ref:G9 </source>
    </species>


    <species name="Nd+++">
      <speciesChemFormula> Nd+++ </speciesChemFormula>
      <atomArray> Nd:1 </atomArray>
      <charge> +3 </charge>
      <thermo model="HKFT">
        <HKFT Pref="1 atm" Tmax="625.15" Tmin="298.15">
          <DG0_f_Pr_Tr units="cal/gmol"> -160600 </DG0_f_Pr_Tr>
          <DH0_f_Pr_Tr units="cal/gmol"> -166500 </DH0_f_Pr_Tr>
          <S0_Pr_Tr units="cal/gmol/K"> -49.5 </S0_Pr_Tr>
        </HKFT>
      </thermo>
      <standardState model="HKFT">
        <a1 units="cal/gmol/bar"> -0.33707 </a1>
        <a2 units="cal/gmol"> -1454.52 </a2>
        <a3 units="cal-K/gmol/bar"> 8.3211 </a3>
        <a4 units="cal-K/gmol"> -21777 </a4>
        <c1 units="cal/gmol/K"> 1.6236 </c1>
        <c2 units="cal-K/gmol"> -118344 </c2>
        <omega_Pr_Tr units="cal/gmol"> 225500 </omega_Pr_Tr>
        <molarVolume units="cm3/mol"> -43.1 </molarVolume>
      </standardState>
      <source>
        ref:G9
      </source>
    </species>

    <species name="Pr+++">
      <speciesChemFormula> Pr+++ </speciesChemFormula>
      <atomArray> Pr:1 </atomArray>
      <charge> +3 </charge>
      <thermo model="HKFT">
        <HKFT Pref="1 atm" Tmax="625.15" Tmin="298.15">
          <DG0_f_Pr_Tr units="cal/gmol"> -162600 </DG0_f_Pr_Tr>
          <DH0_f_Pr_Tr units="cal/gmol"> -168800 </DH0_f_Pr_Tr>
          <S0_Pr_Tr units="cal/gmol/K"> -50 </S0_Pr_Tr>
        </HKFT>
      </thermo>
      <standardState model="HKFT">
        <a1 units="cal/gmol/bar"> -0.32406 </a1>
        <a2 units="cal/gmol"> -1419.98 </a2>
        <a3 units="cal-K/gmol/bar"> 8.1257 </a3>
        <a4 units="cal-K/gmol"> -21920 </a4>
        <c1 units="cal/gmol/K"> -1.1975 </c1>
        <c2 units="cal-K/gmol"> -127511 </c2>
        <omega_Pr_Tr units="cal/gmol"> 223500 </omega_Pr_Tr>
        <molarVolume units="cm3/mol"> -42.1 </molarVolume>
      </standardState>
      <source>
        ref:G9
      </source>
    </species>


    <species name="Ce+++">
      <speciesChemFormula> Ce+++ </speciesChemFormula>
      <atomArray> Ce:1 </atomArray>
      <charge> +3 </charge>
      <thermo model="HKFT">
        <HKFT Pref="1 atm" Tmax="625.15" Tmin="298.15">
          <DG0_f_Pr_Tr units="cal/gmol"> -161600 </DG0_f_Pr_Tr>
          <DH0_f_Pr_Tr units="cal/gmol"> -167400 </DH0_f_Pr_Tr>
          <S0_Pr_Tr units="cal/gmol/K"> -49 </S0_Pr_Tr>
        </HKFT>
      </thermo>
      <standardState model="HKFT">
        <a1 units="cal/gmol/bar"> -0.29292 </a1>
        <a2 units="cal/gmol"> -1493.38 </a2>
        <a3 units="cal-K/gmol/bar"> 11.6196 </a3>
        <a4 units="cal-K/gmol"> -21616 </a4>
        <c1 units="cal/gmol/K"> 4.0445 </c1>
        <c2 units="cal-K/gmol"> -108974 </c2>
        <omega_Pr_Tr units="cal/gmol"> 222510 </omega_Pr_Tr>
        <molarVolume units="cm3/mol"> -39.8 </molarVolume>
      </standardState>
      <source>
        ref:G9
      </source>
    </species>


    <species name="La+++">
      <speciesChemFormula> La+++ </speciesChemFormula>
      <atomArray> La:1 </atomArray>
      <charge> +3 </charge>
      <thermo model="HKFT">
        <HKFT Pref="1 atm" Tmax="625.15" Tmin="298.15">
          <DG0_f_Pr_Tr units="cal/gmol"> -164000 </DG0_f_Pr_Tr>
          <DH0_f_Pr_Tr units="cal/gmol"> -169600 </DH0_f_Pr_Tr>
          <S0_Pr_Tr units="cal/gmol/K"> -52 </S0_Pr_Tr>
        </HKFT>
      </thermo>
      <standardState model="HKFT">
        <a1 units="cal/gmol/bar"> -0.2788 </a1>
        <a2 units="cal/gmol"> -1438.24 </a2>
        <a3 units="cal-K/gmol/bar"> 10.9602 </a3>
        <a4 units="cal-K/gmol"> -21844 </a4>
        <c1 units="cal/gmol/K"> 4.2394 </c1>
        <c2 units="cal-K/gmol"> -106122 </c2>
        <omega_Pr_Tr units="cal/gmol"> 215720 </omega_Pr_Tr>
        <molarVolume units="cm3/mol"> -38.6 </molarVolume>
      </standardState>
      <source>
        ref:G9
      </source>
    </species>



    <species name="Dy+++">
      <speciesChemFormula> Dy+++ </speciesChemFormula>
      <atomArray> Dy:1 </atomArray>
      <charge> +3 </charge>
      <thermo model="HKFT">
        <HKFT Pref="1 atm" Tmax="625.15" Tmin="298.15">
          <DG0_f_Pr_Tr units="cal/gmol"> -158700 </DG0_f_Pr_Tr>
          <DH0_f_Pr_Tr units="cal/gmol"> -166500 </DH0_f_Pr_Tr>
          <S0_Pr_Tr units="cal/gmol/K"> -55.2 </S0_Pr_Tr>
        </HKFT>
      </thermo>
      <standardState model="HKFT">
        <a1 units="cal/gmol/bar"> -0.30003 </a1>
        <a2 units="cal/gmol"> -1510.74 </a2>
        <a3 units="cal-K/gmol/bar"> 11.6879 </a3>
        <a4 units="cal-K/gmol"> -21545 </a4>
        <c1 units="cal/gmol/K"> 9.5076 </c1>
        <c2 units="cal-K/gmol"> -94919 </c2>
        <omega_Pr_Tr units="cal/gmol"> 237920 </omega_Pr_Tr>
        <molarVolume units="cm3/mol"> -40.7 </molarVolume>
      </standardState>
      <source>
        ref:G9
      </source>
    </species>


    <species name="Y+++">
      <speciesChemFormula> Y+++ </speciesChemFormula>
      <atomArray> Y:1 </atomArray>
      <charge> +3 </charge>
      <thermo model="HKFT">
        <HKFT Pref="1 atm" Tmax="625.15" Tmin="298.15">
          <DG0_f_Pr_Tr units="cal/gmol"> -163800 </DG0_f_Pr_Tr>
          <DH0_f_Pr_Tr units="cal/gmol"> -170900 </DH0_f_Pr_Tr>
          <S0_Pr_Tr units="cal/gmol/K"> -60 </S0_Pr_Tr>
        </HKFT>
      </thermo>
      <standardState model="HKFT">
        <a1 units="cal/gmol/bar"> -0.30140 </a1>
        <a2 units="cal/gmol"> -1514.08 </a2>
        <a3 units="cal-K/gmol/bar"> 11.7010 </a3>
        <a4 units="cal-K/gmol"> -21531 </a4>
        <c1 units="cal/gmol/K"> 7.1634 </c1>
        <c2 units="cal-K/gmol"> -103067 </c2>
        <omega_Pr_Tr units="cal/gmol"> 237920 </omega_Pr_Tr>
        <molarVolume units="cm3/mol"> -40.8 </molarVolume>
      </standardState>
      <source>
        ref:G9
      </source>
    </species>
    
    

    <species name="Sm+++">
      <speciesChemFormula> Sm+++ </speciesChemFormula>
      <atomArray> Sm:1 </atomArray>
      <charge> +3 </charge>
      <thermo model="HKFT">
        <HKFT Pref="1 atm" Tmax="625.15" Tmin="298.15">
          <DG0_f_Pr_Tr units="cal/gmol"> -159100 </DG0_f_Pr_Tr>
          <DH0_f_Pr_Tr units="cal/gmol"> -165200 </DH0_f_Pr_Tr>
          <S0_Pr_Tr units="cal/gmol/K"> -50.7 </S0_Pr_Tr>
        </HKFT>
      </thermo>
      <standardState model="HKFT">
        <a1 units="cal/gmol/bar"> -0.32065 </a1>
        <a2 units="cal/gmol"> -1561.08 </a2>
        <a3 units="cal-K/gmol/bar"> 11.8857 </a3>
        <a4 units="cal-K/gmol"> -21337 </a4>
        <c1 units="cal/gmol/K"> 1.9385 </c1>
        <c2 units="cal-K/gmol"> -118548 </c2>
        <omega_Pr_Tr units="cal/gmol"> 229550 </omega_Pr_Tr>
      </standardState>
      <source>
        ref:G9
      </source>
    </species>



    <species name="Gd+++">
      <speciesChemFormula> Gd+++ </speciesChemFormula>
      <atomArray> Gd:1 </atomArray>
      <charge> +3 </charge>
      <thermo model="HKFT">
        <HKFT Pref="1 atm" Tmax="625.15" Tmin="298.15">
          <DG0_f_Pr_Tr units="cal/gmol"> -158600 </DG0_f_Pr_Tr>
          <DH0_f_Pr_Tr units="cal/gmol"> -164200 </DH0_f_Pr_Tr>
          <S0_Pr_Tr units="cal/gmol/K"> -49.2 </S0_Pr_Tr>
        </HKFT>
      </thermo>
      <standardState model="HKFT">
        <a1 units="cal/gmol/bar"> -0.29771 </a1>
        <a2 units="cal/gmol"> -1505.06 </a2>
        <a3 units="cal-K/gmol/bar"> 11.6656 </a3>
        <a4 units="cal-K/gmol"> -21568 </a4>
        <c1 units="cal/gmol/K"> 6.5606 </c1>
        <c2 units="cal-K/gmol"> -103474 </c2>
        <omega_Pr_Tr units="cal/gmol"> 232650 </omega_Pr_Tr>
      </standardState>
      <source>
        ref:G9
      </source>
    </species>
    
    
    
    
  </speciesData>

</ctml>