581de52fbe
-> Added a pureFluidTest problem that only gets carried out if
the WIT_PURE_FLUIDS conditional compile takes place.
-> added more to testWaterTP, so that it queries the unstable
water region up to the spinodal curve.
237 lines
8.6 KiB
XML
237 lines
8.6 KiB
XML
<?xml version="1.0"?>
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<ctml>
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<validate reactions="yes" species="yes"/>
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<!-- phase water -->
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<phase dim="3" id="water">
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<elementArray datasrc="elements.xml">O H </elementArray>
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<speciesArray datasrc="#species_data">H2O</speciesArray>
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<state>
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<temperature units="K">300.0</temperature>
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<pressure units="Pa">101325.0</pressure>
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</state>
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<thermo model="PureFluid" fluid_type="0"/>
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<kinetics model="none"/>
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</phase>
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<!-- phase nitrogen -->
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<phase dim="3" id="nitrogen">
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<elementArray datasrc="elements.xml">N </elementArray>
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<speciesArray datasrc="#species_data">N2</speciesArray>
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<state>
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<temperature units="K">300.0</temperature>
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<pressure units="Pa">101325.0</pressure>
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</state>
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<thermo model="PureFluid" fluid_type="1"/>
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<kinetics model="none"/>
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</phase>
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<!-- phase methane -->
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<phase dim="3" id="methane">
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<elementArray datasrc="elements.xml">C H </elementArray>
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<speciesArray datasrc="#species_data">CH4</speciesArray>
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<state>
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<temperature units="K">300.0</temperature>
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<pressure units="Pa">101325.0</pressure>
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</state>
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<thermo model="PureFluid" fluid_type="2"/>
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<kinetics model="none"/>
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</phase>
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<!-- phase hydrogen -->
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<phase dim="3" id="hydrogen">
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<elementArray datasrc="elements.xml">H </elementArray>
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<speciesArray datasrc="#species_data">H2</speciesArray>
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<state>
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<temperature units="K">300.0</temperature>
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<pressure units="Pa">101325.0</pressure>
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</state>
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<thermo model="PureFluid" fluid_type="3"/>
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<kinetics model="none"/>
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</phase>
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<!-- phase oxygen -->
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<phase dim="3" id="oxygen">
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<elementArray datasrc="elements.xml">O </elementArray>
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<speciesArray datasrc="#species_data">O2</speciesArray>
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<state>
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<temperature units="K">300.0</temperature>
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<pressure units="Pa">101325.0</pressure>
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</state>
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<thermo model="PureFluid" fluid_type="4"/>
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<kinetics model="none"/>
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</phase>
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<!-- phase carbondioxide -->
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<phase dim="3" id="carbondioxide">
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<elementArray datasrc="elements.xml">C O </elementArray>
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<speciesArray datasrc="#species_data">CO2</speciesArray>
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<state>
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<temperature units="K">280.0</temperature>
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<pressure units="Pa">101325.0</pressure>
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</state>
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<thermo model="PureFluid" fluid_type="7"/>
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<kinetics model="none"/>
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</phase>
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<!-- phase heptane -->
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<phase dim="3" id="heptane">
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<elementArray datasrc="elements.xml">C H </elementArray>
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<speciesArray datasrc="#species_data">C7H16</speciesArray>
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<state>
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<temperature units="K">300.0</temperature>
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<pressure units="Pa">101325.0</pressure>
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</state>
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<thermo model="PureFluid" fluid_type="8"/>
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<kinetics model="none"/>
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</phase>
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<!-- phase hfc134a -->
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<phase dim="3" id="hfc134a">
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<elementArray datasrc="elements.xml">C F H </elementArray>
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<speciesArray datasrc="#species_data">C2F4H2</speciesArray>
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<state>
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<temperature units="K">300.0</temperature>
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<pressure units="Pa">101325.0</pressure>
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</state>
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<thermo model="PureFluid" fluid_type="5"/>
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<kinetics model="none"/>
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</phase>
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<!-- species definitions -->
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<speciesData id="species_data">
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<!-- species H2O -->
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<species name="H2O">
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<atomArray>H:2 O:1 </atomArray>
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<thermo>
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<NASA Tmax="1000.0" Tmin="273.16000000000003" P0="100000.0">
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<floatArray name="coeffs" size="7">
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4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09,
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1.771978170E-12, -3.029372670E+04, -8.490322080E-01</floatArray>
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</NASA>
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<NASA Tmax="1600.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11,
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1.682009920E-14, -3.000429710E+04, 4.966770100E+00</floatArray>
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</NASA>
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</thermo>
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</species>
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<!-- species N2 -->
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<species name="N2">
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<atomArray>N:2 </atomArray>
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<thermo>
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<NASA Tmax="1000.0" Tmin="63.149999999999999" P0="100000.0">
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<floatArray name="coeffs" size="7">
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3.298677000E+00, 1.408240400E-03, -3.963222000E-06, 5.641515000E-09,
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-2.444854000E-12, -1.020899900E+03, 3.950372000E+00</floatArray>
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</NASA>
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<NASA Tmax="2000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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2.926640000E+00, 1.487976800E-03, -5.684760000E-07, 1.009703800E-10,
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-6.753351000E-15, -9.227977000E+02, 5.980528000E+00</floatArray>
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</NASA>
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</thermo>
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</species>
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<!-- species CH4 -->
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<species name="CH4">
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<atomArray>H:4 C:1 </atomArray>
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<thermo>
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<NASA Tmax="1000.0" Tmin="90.680000000000007" P0="100000.0">
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<floatArray name="coeffs" size="7">
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5.149876130E+00, -1.367097880E-02, 4.918005990E-05, -4.847430260E-08,
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1.666939560E-11, -1.024664760E+04, -4.641303760E+00</floatArray>
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</NASA>
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<NASA Tmax="1700.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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7.485149500E-02, 1.339094670E-02, -5.732858090E-06, 1.222925350E-09,
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-1.018152300E-13, -9.468344590E+03, 1.843731800E+01</floatArray>
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</NASA>
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</thermo>
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</species>
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<!-- species O2 -->
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<species name="O2">
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<atomArray>O:2 </atomArray>
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<thermo>
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<NASA Tmax="1000.0" Tmin="54.340000000000003" P0="100000.0">
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<floatArray name="coeffs" size="7">
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3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09,
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3.243728370E-12, -1.063943560E+03, 3.657675730E+00</floatArray>
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</NASA>
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<NASA Tmax="2000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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3.282537840E+00, 1.483087540E-03, -7.579666690E-07, 2.094705550E-10,
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-2.167177940E-14, -1.088457720E+03, 5.453231290E+00</floatArray>
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</NASA>
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</thermo>
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</species>
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<!-- species H2 -->
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<species name="H2">
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<atomArray>H:2 </atomArray>
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<thermo>
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<NASA Tmax="1000.0" Tmin="13.800000000000001" P0="100000.0">
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<floatArray name="coeffs" size="7">
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2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08,
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-7.376117610E-12, -9.179351730E+02, 6.830102380E-01</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10,
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2.002553760E-14, -9.501589220E+02, -3.205023310E+00</floatArray>
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</NASA>
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</thermo>
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</species>
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<!-- species CO2 -->
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<species name="CO2">
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<atomArray>C:1 O:2 </atomArray>
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<thermo>
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<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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2.356773520E+00, 8.984596770E-03, -7.123562690E-06, 2.459190220E-09,
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-1.436995480E-13, -4.837196970E+04, 9.901052220E+00</floatArray>
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</NASA>
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<NASA Tmax="3500.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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3.857460290E+00, 4.414370260E-03, -2.214814040E-06, 5.234901880E-10,
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-4.720841640E-14, -4.875916600E+04, 2.271638060E+00</floatArray>
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</NASA>
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</thermo>
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</species>
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<!-- species C7H16 -->
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<species name="C7H16">
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<atomArray>H:16 C:7 </atomArray>
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<thermo>
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<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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1.115324840E+01, -9.494154330E-03, 1.955711810E-04, -2.497525200E-07,
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9.848732130E-11, -2.677117350E+04, -1.590961100E+01</floatArray>
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</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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1.853547040E+01, 3.914204680E-02, -1.380302680E-05, 2.224038740E-09,
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-1.334525800E-13, -3.195007830E+04, -7.019028400E+01</floatArray>
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</NASA>
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</thermo>
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</species>
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<!-- species C2F4H2 -->
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<species name="C2F4H2">
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<atomArray>H:2 C:2 F:4 </atomArray>
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<thermo>
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<const_cp Tmax="5000.0" Tmin="100.0">
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<t0 units="K">273.14999999999998</t0>
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<h0 units="J/kmol">23083414.8686</h0>
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<s0 units="J/kmol/K">167025.46599999999</s0>
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<cp0 units="J/kmol/K">0.0</cp0>
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</const_cp>
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</thermo>
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</species>
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</speciesData>
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<reactionData id="reaction_data"/>
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</ctml>
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