# # Generated from file KERO_chemical_scheme_dat.mec # by ck2cti on Tue Nov 25 15:03:03 2008 # # Transport data from file transport_dat.rdb. units(length = "cm", time = "s", quantity = "mol", act_energy = "cal/mol") ideal_gas(name = "gas", elements = " O H C N ", species = """ O2 KERO_LUCHE CO CO2 H2O N2 """, reactions = "all", transport = "AVBP", initial_state = state(temperature = 300.0, pressure = OneAtm) ) #------------------------------------------------------------------------------- # Species data #------------------------------------------------------------------------------- species(name = "O2", atoms = " O:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09, 3.243728370E-12, -1.063943560E+03, 3.657675730E+00] ), NASA( [ 1000.00, 3500.00], [ 3.282537840E+00, 1.483087540E-03, -7.579666690E-07, 2.094705550E-10, -2.167177940E-14, -1.088457720E+03, 5.453231290E+00] ) ), transport = gas_transport( geom = "linear", diam = 3.46, well_depth = 107.40, polar = 1.60, rot_relax = 3.80) ) species(name = "KERO_LUCHE", atoms = " C:10 H:20 ", thermo = ( NASA( [ 300.00, 1000.00], [ -4.150000000E+00, 1.280000000E-01, -1.080000000E-04, 6.530000000E-08, -2.080000000E-11, -2.830000000E+04, 5.090000000E+01] ), NASA( [ 1000.00, 5000.00], [ 2.200000000E+01, 5.610000000E-02, -2.090000000E-05, 3.570000000E-09, -2.300000000E-13, -3.610000000E+04, -8.600000000E+01] ) ), transport = gas_transport( geom = "nonlinear", diam = 6.57, well_depth = 504.43, rot_relax = 1.00) ) species(name = "CO", atoms = " C:1 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.579533470E+00, -6.103536800E-04, 1.016814330E-06, 9.070058840E-10, -9.044244990E-13, -1.434408600E+04, 3.508409280E+00] ), NASA( [ 1000.00, 3500.00], [ 2.715185610E+00, 2.062527430E-03, -9.988257710E-07, 2.300530080E-10, -2.036477160E-14, -1.415187240E+04, 7.818687720E+00] ) ), transport = gas_transport( geom = "linear", diam = 3.65, well_depth = 98.10, polar = 1.95, rot_relax = 1.80) ) species(name = "CO2", atoms = " C:1 O:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.356773520E+00, 8.984596770E-03, -7.123562690E-06, 2.459190220E-09, -1.436995480E-13, -4.837196970E+04, 9.901052220E+00] ), NASA( [ 1000.00, 3500.00], [ 3.857460290E+00, 4.414370260E-03, -2.214814040E-06, 5.234901880E-10, -4.720841640E-14, -4.875916600E+04, 2.271638060E+00] ) ), transport = gas_transport( geom = "linear", diam = 3.76, well_depth = 244.00, polar = 2.65, rot_relax = 2.10) ) species(name = "H2O", atoms = " H:2 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09, 1.771978170E-12, -3.029372670E+04, -8.490322080E-01] ), NASA( [ 1000.00, 3500.00], [ 3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11, 1.682009920E-14, -3.000429710E+04, 4.966770100E+00] ) ), transport = gas_transport( geom = "nonlinear", diam = 2.60, well_depth = 572.40, dipole = 1.84, rot_relax = 4.00) ) species(name = "N2", atoms = " N:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.298677000E+00, 1.408240400E-03, -3.963222000E-06, 5.641515000E-09, -2.444854000E-12, -1.020899900E+03, 3.950372000E+00] ), NASA( [ 1000.00, 5000.00], [ 2.926640000E+00, 1.487976800E-03, -5.684760000E-07, 1.009703800E-10, -6.753351000E-15, -9.227977000E+02, 5.980528000E+00] ) ), transport = gas_transport( geom = "linear", diam = 3.62, well_depth = 97.53, polar = 1.76, rot_relax = 4.00) ) #------------------------------------------------------------------------------- # Reaction data #------------------------------------------------------------------------------- # Reaction 1 reaction( "KERO_LUCHE + 10 O2 => 10 CO + 10 H2O", [0.80E+12, 0, 41500], order = " KERO_LUCHE:0.55 O2:0.90") # Reaction 2 reaction( "CO + 0.5 O2 <=> CO2", [4.5E+10, 0, 20000])