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

  <!-- phase gas     -->
  <phase dim="3" id="gas">
    <elementArray datasrc="elements.xml">H C</elementArray>
    <speciesArray datasrc="gri30.xml#species_data">H H2 CH3 CH4</speciesArray>
    <state>
      <temperature units="K">1200.0</temperature>
      <pressure units="Pa">2666.4473684210525</pressure>
      <moleFractions>H:0.002, H2:0.988, CH3:0.0002, CH4:0.01</moleFractions>
    </state>
    <thermo model="IdealGas"/>
    <kinetics model="GasKinetics"/>
    <transport model="None"/>
  </phase>

  <!-- phase diamond     -->
  <phase dim="3" id="diamond">
    <elementArray datasrc="elements.xml">H C</elementArray>
    <speciesArray datasrc="#species_data">C(d)</speciesArray>
    <thermo model="StoichSubstance">
      <density units="g/cm3">3.52</density>
    </thermo>
    <transport model="None"/>
    <kinetics model="none"/>
  </phase>

  <!-- phase diamond_100     -->
  <phase dim="2" id="diamond_100">
    <elementArray datasrc="elements.xml">H C </elementArray>
    <speciesArray datasrc="#species_data">c6HH c6H* c6*H c6** c6HM c6HM* c6*M c6B</speciesArray>
    <reactionArray datasrc="#reaction_data"/>
    <state>
      <temperature units="K">1200.0</temperature>
      <coverages>c6H*:0.1, c6HH:0.9</coverages>
    </state>
    <thermo model="Surface">
      <site_density units="mol/cm2">3e-09</site_density>
    </thermo>
    <kinetics model="Interface"/>
    <transport model="None"/>
    <phaseArray>gas diamond</phaseArray>
  </phase>

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

    <!-- species C(d)    -->
    <species name="C(d)">
      <atomArray>C:1 </atomArray>
      <thermo>
        <const_cp Tmax="5000.0" Tmin="100.0">
           <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>
    </species>

    <!-- species c6H*    -->
    <species name="c6H*">
      <atomArray>H:1 </atomArray>
      <thermo>
        <const_cp Tmax="5000.0" Tmin="100.0">
           <t0 units="K">298.14999999999998</t0>
           <h0 units="kcal/mol">51.700000000000003</h0>
           <s0 units="cal/mol/K">19.5</s0>
           <cp0 units="J/mol/K">0.0</cp0>
        </const_cp>
      </thermo>
    </species>

    <!-- species c6*H    -->
    <species name="c6*H">
      <atomArray>H:1 </atomArray>
      <thermo>
        <const_cp Tmax="5000.0" Tmin="100.0">
           <t0 units="K">298.14999999999998</t0>
           <h0 units="kcal/mol">46.100000000000001</h0>
           <s0 units="cal/mol/K">19.899999999999999</s0>
           <cp0 units="J/mol/K">0.0</cp0>
        </const_cp>
      </thermo>
    </species>

    <!-- species c6HH    -->
    <species name="c6HH">
      <atomArray>H:2 </atomArray>
      <thermo>
        <const_cp Tmax="5000.0" Tmin="100.0">
           <t0 units="K">298.14999999999998</t0>
           <h0 units="kcal/mol">11.4</h0>
           <s0 units="cal/mol/K">21.0</s0>
           <cp0 units="J/mol/K">0.0</cp0>
        </const_cp>
      </thermo>
    </species>

    <!-- species c6HM    -->
    <species name="c6HM">
      <atomArray>H:4 C:1 </atomArray>
      <thermo>
        <const_cp Tmax="5000.0" Tmin="100.0">
           <t0 units="K">298.14999999999998</t0>
           <h0 units="kcal/mol">26.899999999999999</h0>
           <s0 units="cal/mol/K">40.299999999999997</s0>
           <cp0 units="J/mol/K">0.0</cp0>
        </const_cp>
      </thermo>
    </species>

    <!-- species c6HM*    -->
    <species name="c6HM*">
      <atomArray>H:3 C:1 </atomArray>
      <thermo>
        <const_cp Tmax="5000.0" Tmin="100.0">
           <t0 units="K">298.14999999999998</t0>
           <h0 units="kcal/mol">65.799999999999997</h0>
           <s0 units="cal/mol/K">40.100000000000001</s0>
           <cp0 units="J/mol/K">0.0</cp0>
        </const_cp>
      </thermo>
    </species>

    <!-- species c6*M    -->
    <species name="c6*M">
      <atomArray>H:3 C:1 </atomArray>
      <thermo>
        <const_cp Tmax="5000.0" Tmin="100.0">
           <t0 units="K">298.14999999999998</t0>
           <h0 units="kcal/mol">53.299999999999997</h0>
           <s0 units="cal/mol/K">38.899999999999999</s0>
           <cp0 units="J/mol/K">0.0</cp0>
        </const_cp>
      </thermo>
    </species>

    <!-- species c6**    -->
    <species name="c6**">
      <atomArray>C:0 </atomArray>
      <thermo>
        <const_cp Tmax="5000.0" Tmin="100.0">
           <t0 units="K">298.14999999999998</t0>
           <h0 units="kcal/mol">90.0</h0>
           <s0 units="cal/mol/K">18.399999999999999</s0>
           <cp0 units="J/mol/K">0.0</cp0>
        </const_cp>
      </thermo>
    </species>

    <!-- species c6B    -->
    <species name="c6B">
      <atomArray>H:2 C:1 </atomArray>
      <thermo>
        <const_cp Tmax="5000.0" Tmin="100.0">
           <t0 units="K">298.14999999999998</t0>
           <h0 units="kcal/mol">40.899999999999999</h0>
           <s0 units="cal/mol/K">26.899999999999999</s0>
           <cp0 units="J/mol/K">0.0</cp0>
        </const_cp>
      </thermo>
    </species>
  </speciesData>
  <reactionData id="reaction_data">

    <!-- reaction 0001    -->
    <reaction reversible="yes" type="surface" id="0001">
      <equation>c6HH + H   [=] c6H* + H2</equation>
      <rateCoeff>
        <Arrhenius>
           <A>1.300000E+11</A>
           <b>0.0</b>
           <E units="kcal/mol">7.300000</E>
        </Arrhenius>
      </rateCoeff>
      <reactants>H:1 c6HH:1.0</reactants>
      <products>H2:1 c6H*:1.0</products>
    </reaction>

    <!-- reaction 0002    -->
    <reaction reversible="yes" type="surface" id="0002">
      <equation>c6H* + H   [=] c6HH</equation>
      <rateCoeff>
        <Arrhenius>
           <A>1.000000E+10</A>
           <b>0.0</b>
           <E units="kcal/mol">0.000000</E>
        </Arrhenius>
      </rateCoeff>
      <reactants>c6H*:1.0 H:1</reactants>
      <products>c6HH:1.0</products>
    </reaction>

    <!-- reaction 0003    -->
    <reaction reversible="yes" type="surface" id="0003">
      <equation>c6H* + CH3 [=] c6HM</equation>
      <rateCoeff>
        <Arrhenius>
           <A>5.000000E+09</A>
           <b>0.0</b>
           <E units="kcal/mol">0.000000</E>
        </Arrhenius>
      </rateCoeff>
      <reactants>c6H*:1.0 CH3:1</reactants>
      <products>c6HM:1.0</products>
    </reaction>

    <!-- reaction 0004    -->
    <reaction reversible="yes" type="surface" id="0004">
      <equation>c6HM + H   [=] c6*M + H2</equation>
      <rateCoeff>
        <Arrhenius>
           <A>1.300000E+11</A>
           <b>0.0</b>
           <E units="kcal/mol">7.300000</E>
        </Arrhenius>
      </rateCoeff>
      <reactants>H:1 c6HM:1.0</reactants>
      <products>H2:1 c6*M:1.0</products>
    </reaction>

    <!-- reaction 0005    -->
    <reaction reversible="yes" type="surface" id="0005">
      <equation>c6*M + H   [=] c6HM</equation>
      <rateCoeff>
        <Arrhenius>
           <A>1.000000E+10</A>
           <b>0.0</b>
           <E units="kcal/mol">0.000000</E>
        </Arrhenius>
      </rateCoeff>
      <reactants>H:1 c6*M:1.0</reactants>
      <products>c6HM:1.0</products>
    </reaction>

    <!-- reaction 0006    -->
    <reaction reversible="yes" type="surface" id="0006">
      <equation>c6HM + H   [=] c6HM* + H2</equation>
      <rateCoeff>
        <Arrhenius>
           <A>2.800000E+04</A>
           <b>0.0</b>
           <E units="kcal/mol">7.700000</E>
        </Arrhenius>
      </rateCoeff>
      <reactants>H:1 c6HM:1.0</reactants>
      <products>H2:1 c6HM*:1.0</products>
    </reaction>

    <!-- reaction 0007    -->
    <reaction reversible="yes" type="surface" id="0007">
      <equation>c6HM* + H  [=] c6HM</equation>
      <rateCoeff>
        <Arrhenius>
           <A>1.000000E+10</A>
           <b>0.0</b>
           <E units="kcal/mol">0.000000</E>
        </Arrhenius>
      </rateCoeff>
      <reactants>c6HM*:1.0 H:1</reactants>
      <products>c6HM:1.0</products>
    </reaction>

    <!-- reaction 0008    -->
    <reaction reversible="yes" type="surface" id="0008">
      <equation>c6HM*      [=] c6*M</equation>
      <rateCoeff>
        <Arrhenius>
           <A>1.000000E+08</A>
           <b>0.0</b>
           <E units="kcal/mol">0.000000</E>
        </Arrhenius>
      </rateCoeff>
      <reactants>c6HM*:1.0</reactants>
      <products>c6*M:1.0</products>
    </reaction>

    <!-- reaction 0009    -->
    <reaction reversible="yes" type="surface" id="0009">
      <equation>c6HM* + H  [=] c6H* + CH3</equation>
      <rateCoeff>
        <Arrhenius>
           <A>3.000000E+10</A>
           <b>0.0</b>
           <E units="kcal/mol">0.000000</E>
        </Arrhenius>
      </rateCoeff>
      <reactants>c6HM*:1.0 H:1</reactants>
      <products>c6H*:1.0 CH3:1</products>
    </reaction>

    <!-- reaction 0010    -->
    <reaction reversible="yes" type="surface" id="0010">
      <equation>c6HM* + H  [=] c6B + H2</equation>
      <rateCoeff>
        <Arrhenius>
           <A>1.300000E+11</A>
           <b>0.0</b>
           <E units="kcal/mol">7.300000</E>
        </Arrhenius>
      </rateCoeff>
      <reactants>c6HM*:1.0 H:1</reactants>
      <products>H2:1 c6B:1.0</products>
    </reaction>

    <!-- reaction 0011    -->
    <reaction reversible="yes" type="surface" id="0011">
      <equation>c6*M + H   [=] c6B + H2</equation>
      <rateCoeff>
        <Arrhenius>
           <A>2.800000E+04</A>
           <b>2.0</b>
           <E units="kcal/mol">7.700000</E>
        </Arrhenius>
      </rateCoeff>
      <reactants>H:1 c6*M:1.0</reactants>
      <products>H2:1 c6B:1.0</products>
    </reaction>

    <!-- reaction 0012    -->
    <reaction reversible="yes" type="surface" id="0012">
      <equation>c6HH + H   [=] c6*H + H2</equation>
      <rateCoeff>
        <Arrhenius>
           <A>1.300000E+11</A>
           <b>0.0</b>
           <E units="kcal/mol">7.300000</E>
        </Arrhenius>
      </rateCoeff>
      <reactants>H:1 c6HH:1.0</reactants>
      <products>H2:1 c6*H:1.0</products>
    </reaction>

    <!-- reaction 0013    -->
    <reaction reversible="yes" type="surface" id="0013">
      <equation>c6*H + H   [=] c6HH</equation>
      <rateCoeff>
        <Arrhenius>
           <A>1.000000E+10</A>
           <b>0.0</b>
           <E units="kcal/mol">0.000000</E>
        </Arrhenius>
      </rateCoeff>
      <reactants>c6*H:1.0 H:1</reactants>
      <products>c6HH:1.0</products>
    </reaction>

    <!-- reaction 0014    -->
    <reaction reversible="yes" type="surface" id="0014">
      <equation>c6H* + H   [=] c6** + H2</equation>
      <rateCoeff>
        <Arrhenius>
           <A>1.300000E+11</A>
           <b>0.0</b>
           <E units="kcal/mol">7.300000</E>
        </Arrhenius>
      </rateCoeff>
      <reactants>c6H*:1.0 H:1</reactants>
      <products>H2:1 c6**:1.0</products>
    </reaction>

    <!-- reaction 0015    -->
    <reaction reversible="yes" type="surface" id="0015">
      <equation>c6** + H   [=] c6H*</equation>
      <rateCoeff>
        <Arrhenius>
           <A>1.000000E+10</A>
           <b>0.0</b>
           <E units="kcal/mol">0.000000</E>
        </Arrhenius>
      </rateCoeff>
      <reactants>H:1 c6**:1.0</reactants>
      <products>c6H*:1.0</products>
    </reaction>

    <!-- reaction 0016    -->
    <reaction reversible="yes" type="surface" id="0016">
      <equation>c6*H + H   [=] c6** + H2</equation>
      <rateCoeff>
        <Arrhenius>
           <A>4.500000E+03</A>
           <b>2.0</b>
           <E units="kcal/mol">5.000000</E>
        </Arrhenius>
      </rateCoeff>
      <reactants>c6*H:1.0 H:1</reactants>
      <products>H2:1 c6**:1.0</products>
    </reaction>

    <!-- reaction 0017    -->
    <reaction reversible="yes" type="surface" id="0017">
      <equation>c6** + H   [=] c6*H</equation>
      <rateCoeff>
        <Arrhenius>
           <A>1.000000E+10</A>
           <b>0.0</b>
           <E units="kcal/mol">0.000000</E>
        </Arrhenius>
      </rateCoeff>
      <reactants>H:1 c6**:1.0</reactants>
      <products>c6*H:1.0</products>
    </reaction>

    <!-- reaction 0018    -->
    <reaction reversible="yes" type="surface" id="0018">
      <equation>c6** + CH3 [=] c6*M</equation>
      <rateCoeff>
        <Arrhenius>
           <A>5.000000E+09</A>
           <b>0.0</b>
           <E units="kcal/mol">0.000000</E>
        </Arrhenius>
      </rateCoeff>
      <reactants>CH3:1 c6**:1.0</reactants>
      <products>c6*M:1.0</products>
    </reaction>

    <!-- reaction 0019    -->
    <reaction reversible="yes" type="surface" id="0019">
      <equation>c6H*       [=] c6*H</equation>
      <rateCoeff>
        <Arrhenius>
           <A>1.000000E+08</A>
           <b>0.0</b>
           <E units="kcal/mol">0.000000</E>
        </Arrhenius>
      </rateCoeff>
      <reactants>c6H*:1.0</reactants>
      <products>c6*H:1.0</products>
    </reaction>

    <!-- reaction 0020    -->
    <reaction reversible="yes" type="surface" id="0020">
      <equation>c6B       [=] c6HH + C(d)</equation>
      <rateCoeff>
        <Arrhenius>
           <A>1.000000E+09</A>
           <b>0.0</b>
           <E units="kcal/mol">0.000000</E>
        </Arrhenius>
      </rateCoeff>
      <reactants>c6B:1.0</reactants>
      <products>C(d):1 c6HH:1.0</products>
    </reaction>
  </reactionData>
</ctml>
