cantera/test_problems/fracCoeff/frac.xml

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

  <!-- phase gas     -->
  <phase dim="3" id="gas">
    <elementArray datasrc="elements.xml">O H </elementArray>
    <speciesArray datasrc="#species_data">H2  H  O  O2  OH  H2O </speciesArray>
    <reactionArray datasrc="#reaction_data"/>
    <state>
      <temperature units="K">300.0</temperature>
      <pressure units="Pa">101325.0</pressure>
    </state>
    <thermo model="IdealGas"/>
    <kinetics model="GasKinetics"/>
    <transport model="None"/>
  </phase>

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

    <!-- species H2    -->
    <species name="H2">
      <atomArray>H:2 </atomArray>
      <thermo>
        <NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
           <floatArray name="coeffs" size="7">
             2.344331120E+00,   7.980520750E-03,  -1.947815100E-05,   2.015720940E-08, 
             -7.376117610E-12,  -9.179351730E+02,   6.830102380E-01</floatArray>
        </NASA>
        <NASA Tmax="3500.0" Tmin="1000.0" P0="100000.0">
           <floatArray name="coeffs" size="7">
             3.337279200E+00,  -4.940247310E-05,   4.994567780E-07,  -1.795663940E-10, 
             2.002553760E-14,  -9.501589220E+02,  -3.205023310E+00</floatArray>
        </NASA>
      </thermo>
    </species>

    <!-- species H    -->
    <species name="H">
      <atomArray>H:1 </atomArray>
      <thermo>
        <NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
           <floatArray name="coeffs" size="7">
             2.500000000E+00,   7.053328190E-13,  -1.995919640E-15,   2.300816320E-18, 
             -9.277323320E-22,   2.547365990E+04,  -4.466828530E-01</floatArray>
        </NASA>
        <NASA Tmax="3500.0" Tmin="1000.0" P0="100000.0">
           <floatArray name="coeffs" size="7">
             2.500000010E+00,  -2.308429730E-11,   1.615619480E-14,  -4.735152350E-18, 
             4.981973570E-22,   2.547365990E+04,  -4.466829140E-01</floatArray>
        </NASA>
      </thermo>
    </species>

    <!-- species O    -->
    <species name="O">
      <atomArray>O:1 </atomArray>
      <thermo>
        <NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
           <floatArray name="coeffs" size="7">
             3.168267100E+00,  -3.279318840E-03,   6.643063960E-06,  -6.128066240E-09, 
             2.112659710E-12,   2.912225920E+04,   2.051933460E+00</floatArray>
        </NASA>
        <NASA Tmax="3500.0" Tmin="1000.0" P0="100000.0">
           <floatArray name="coeffs" size="7">
             2.569420780E+00,  -8.597411370E-05,   4.194845890E-08,  -1.001777990E-11, 
             1.228336910E-15,   2.921757910E+04,   4.784338640E+00</floatArray>
        </NASA>
      </thermo>
    </species>

    <!-- species O2    -->
    <species name="O2">
      <atomArray>O:2 </atomArray>
      <thermo>
        <NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
           <floatArray name="coeffs" size="7">
             3.782456360E+00,  -2.996734160E-03,   9.847302010E-06,  -9.681295090E-09, 
             3.243728370E-12,  -1.063943560E+03,   3.657675730E+00</floatArray>
        </NASA>
        <NASA Tmax="3500.0" Tmin="1000.0" P0="100000.0">
           <floatArray name="coeffs" size="7">
             3.282537840E+00,   1.483087540E-03,  -7.579666690E-07,   2.094705550E-10, 
             -2.167177940E-14,  -1.088457720E+03,   5.453231290E+00</floatArray>
        </NASA>
      </thermo>
    </species>

    <!-- species OH    -->
    <species name="OH">
      <atomArray>H:1 O:1 </atomArray>
      <thermo>
        <NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
           <floatArray name="coeffs" size="7">
             3.992015430E+00,  -2.401317520E-03,   4.617938410E-06,  -3.881133330E-09, 
             1.364114700E-12,   3.615080560E+03,  -1.039254580E-01</floatArray>
        </NASA>
        <NASA Tmax="3500.0" Tmin="1000.0" P0="100000.0">
           <floatArray name="coeffs" size="7">
             3.092887670E+00,   5.484297160E-04,   1.265052280E-07,  -8.794615560E-11, 
             1.174123760E-14,   3.858657000E+03,   4.476696100E+00</floatArray>
        </NASA>
      </thermo>
    </species>

    <!-- species H2O    -->
    <species name="H2O">
      <atomArray>H:2 O:1 </atomArray>
      <thermo>
        <NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
           <floatArray name="coeffs" size="7">
             4.198640560E+00,  -2.036434100E-03,   6.520402110E-06,  -5.487970620E-09, 
             1.771978170E-12,  -3.029372670E+04,  -8.490322080E-01</floatArray>
        </NASA>
        <NASA Tmax="3500.0" Tmin="1000.0" P0="100000.0">
           <floatArray name="coeffs" size="7">
             3.033992490E+00,   2.176918040E-03,  -1.640725180E-07,  -9.704198700E-11, 
             1.682009920E-14,  -3.000429710E+04,   4.966770100E+00</floatArray>
        </NASA>
      </thermo>
    </species>
  </speciesData>
  <reactionData id="reaction_data">

    <!-- reaction 0001    -->
    <reaction reversible="no" id="0001">
      <equation>H2O =] 1.4 H + 0.6 OH + 0.2 O2</equation>
      <rateCoeff>
        <Arrhenius>
           <A>1.000000E+13</A>
           <b>0.0</b>
           <E units="cal/mol">0.000000</E>
        </Arrhenius>
      </rateCoeff>
      <reactants>H2O:1.0</reactants>
      <products>H:1.3999999999999999 O2:0.20000000000000001 OH:0.59999999999999998</products>
    </reaction>

    <!-- reaction 0002    -->
    <reaction reversible="no" id="0002">
      <equation>0.7 H2 + 0.6 OH + 0.2 O2 =] H2O</equation>
      <order species="H2">0.80000000000000004</order>
      <order species="O2">1.0</order>
      <order species="OH">2.0</order>
      <rateCoeff>
        <Arrhenius>
           <A>3.981072E+04</A>
           <b>0.0</b>
           <E units="cal/mol">0.000000</E>
        </Arrhenius>
      </rateCoeff>
      <reactants>H2:0.69999999999999996 O2:0.20000000000000001 OH:0.59999999999999998</reactants>
      <products>H2O:1.0</products>
    </reaction>
  </reactionData>
</ctml>