$MIXTURE !--------------------------------------------------------------------------------------------------------------------- ! Non reactive mixture AIR. !--------------------------------------------------------------------------------------------------------------------- mixture_name = AIR-C8H18 transport = computed combustion_chemistry = no species_name = AIR C8H18 species_Schmidt_number = 0.75d0 0.75d0 viscosity_law = sutherland mu_ref = 1.716d-5 T_ref = 273.15d0 viscosity_law_coeff = 110.6d0 prandtl_number = 0.75d0 !--------------------------------------------------------------------------------------------------------------------- ! Non reactive mixture AIR. !--------------------------------------------------------------------------------------------------------------------- mixture_name = AIR-C7H12 transport = computed combustion_chemistry = no species_name = AIR C7H12 species_Schmidt_number = 0.75d0 0.75d0 viscosity_law = sutherland mu_ref = 1.716d-5 T_ref = 273.15d0 viscosity_law_coeff = 110.6d0 prandtl_number = 0.75d0 !-------------------------------------------------------------------------------------------------- ! Reactive mixture for FPI-TTC !-------------------------------------------------------------------------------------------------- mixture_name = FPI-TTC transport = tabulated combustion_chemistry = tabulated_ttc lookup_table = ./TABLE_FILTER-2.96mm_Y2.h5 deactivate_chemical_sources = no species_name = N2 species_Schmidt_number = 0.7d0 !--------------------------------------------------------------------------------------------------------------------- ! Non reactive mixture AIR. !--------------------------------------------------------------------------------------------------------------------- mixture_name = AIR transport = computed combustion_chemistry = no species_name = AIR species_Schmidt_number = 1.d0 viscosity_law = sutherland mu_ref = 1.716d-5 T_ref = 273.15d0 viscosity_law_coeff = 110.6d0 prandtl_number = 0.71d0 !--------------------------------------------------------------------------------------------------------------------- ! Non reactive mixture AIR with thermo of CH4-AIR-2S_CM2 reactive scheme. For cold premixed cases. !--------------------------------------------------------------------------------------------------------------------- mixture_name = CH4-AIR-2S-CM2_PREMIX transport = computed combustion_chemistry = no species_name = AIR species_Schmidt_number = 0.677d0 viscosity_law = power mu_ref = 1.807d-5 T_ref = 300.d0 viscosity_law_coeff = 0.682d0 prandtl_number = 0.68d0 !--------------------------------------------------------------------------------------------------------------------- ! Non reactive mixture CH4/AIR with thermo of CH4-AIR-2S_CM2 reactive scheme. For cold non-premixed cases. !--------------------------------------------------------------------------------------------------------------------- mixture_name = CH4-AIR-2S-CM2_NONPREMIX transport = computed combustion_chemistry = no species_name = CH4 O2 N2 species_Schmidt_number = 0.677d0 0.739d0 0.726d0 viscosity_law = power mu_ref = 1.807d-5 T_ref = 300.d0 viscosity_law_coeff = 0.682d0 prandtl_number = 0.68d0 !--------------------------------------------------------------------------------------------------------------------- ! Reactive mixture CH4/AIR. Reduced chemistry, 2S-CM2 scheme. !--------------------------------------------------------------------------------------------------------------------- mixture_name = CH4-AIR-2S-CM2_FLAMMABLE validity_info = 300K/1bar transport = computed combustion_chemistry = reduced species_name = CH4 CO2 CO O2 H2O N2 species_Schmidt_number = 0.677d0 0.945d0 0.750d0 0.739d0 0.544d0 0.726d0 viscosity_law = power mu_ref = 1.807d-5 T_ref = 300.d0 viscosity_law_coeff = 0.682d0 prandtl_number = 0.68d0 atom_for_z_calculation = C fuel_tank_composition = 1.d0 0.d0 0.d0 0.d0 0.d0 0.d0 oxydizer_tank_composition = 0.d0 0.d0 0.d0 0.233d0 0.d0 0.767d0 ! 2S-CM2 Reaction #1 : CH4 + 1.5 O2 => CO + 2 H2O !----------------------------------------- reac_name = CH4-AIR-2S-CM2-1 reac_species_number = 4 reac_species_name = CH4 O2 CO H2O reac_stoich_coeff = -1.d0 -1.5d0 1.d0 2.d0 reac_Arrh_fwd_coeff = 0.9d0 1.1d0 0.d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 0.d0 0.d0 reac_preexp = 2.0d15 reac_act_energ = 35000.0d0 reac_temp_exp = 0.d0 reac_third_body_number = 0 reac_third_body_name = no reac_third_body_eff = 0.d0 ! 2S-CM2 Reaction #2 : CO + 0.5 O2 <=> CO2 !---------------------------------- reac_name = CH4-AIR-2S-CM2-2 reac_species_number = 3 reac_species_name = CO O2 CO2 reac_stoich_coeff = -1.d0 -0.5d0 1.d0 reac_Arrh_fwd_coeff = 1.d0 0.5d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 1.d0 reac_preexp = -2.0d9 reac_act_energ = 12000.0d0 reac_temp_exp = 0.d0 reac_third_body_number = 0 reac_third_body_name = no reac_third_body_eff = 0.d0 !--------------------------------------------------------------------------------------------------------------------- ! Non reactive mixture AIR with thermo of CH4-AIR-2S_BFER reactive scheme. For cold premixed cases. !--------------------------------------------------------------------------------------------------------------------- mixture_name = CH4-AIR-2S-BFER_PREMIX transport = computed combustion_chemistry = no species_name = AIR species_Schmidt_number = 0.7d0 viscosity_law = power mu_ref = 1.8405d-5 T_ref = 300.d0 viscosity_law_coeff = 0.6759d0 prandtl_number = 0.7d0 !--------------------------------------------------------------------------------------------------------------------- ! Non reactive mixture CH4/AIR with thermo of CH4-AIR-2S_BFER reactive scheme. For cold non-premixed cases. !--------------------------------------------------------------------------------------------------------------------- mixture_name = CH4-AIR-2S-BFER_NONPREMIX transport = computed combustion_chemistry = no species_name = CH4 O2 N2 species_Schmidt_number = 0.7d0 0.7d0 0.7d0 viscosity_law = power mu_ref = 1.8405d-5 T_ref = 300.d0 viscosity_law_coeff = 0.6759d0 prandtl_number = 0.7d0 !--------------------------------------------------------------------------------------------------------------------- ! Reactive mixture CH4/AIR. Reduced chemistry with PEA formalism, 2S-BFER scheme. !--------------------------------------------------------------------------------------------------------------------- mixture_name = CH4-AIR-2S-BFER_FLAMMABLE validity_info = 300-700K/1-12atm transport = computed combustion_chemistry = reduced_pea species_name = CH4 CO2 CO O2 H2O N2 species_Schmidt_number = 0.7d0 0.7d0 0.7d0 0.7d0 0.7d0 0.7d0 viscosity_law = power mu_ref = 1.8405d-5 T_ref = 300.d0 viscosity_law_coeff = 0.6759d0 prandtl_number = 0.7d0 pea_method = pea2 pea_coeff = 1.10d0 0.09d0 0.37d0 1.13d0 0.03d0 6.7d0 1.6d0 0.22d0 pea_coeff = 0.95d0 0.08d0 2.5d-5 1.3d0 0.04d0 0.0087d0 1.2d0 0.04d0 1.2d0 0.05d0 atom_for_z_calculation = C fuel_tank_composition = 1.d0 0.d0 0.d0 0.d0 0.d0 0.d0 oxydizer_tank_composition = 0.d0 0.d0 0.d0 0.233d0 0.d0 0.767d0 ! 2S-BFER Reaction #1 : CH4 + 1.5 O2 => CO + 2 H2O !----------------------------------------- reac_name = CH4-AIR-2S-BFER-1 reac_species_number = 4 reac_species_name = CH4 O2 CO H2O reac_stoich_coeff = -1.d0 -1.5d0 1.d0 2.d0 reac_Arrh_fwd_coeff = 0.5d0 0.65d0 0.d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 0.d0 0.d0 reac_preexp = 4.9d9 reac_act_energ = 35500.0d0 reac_temp_exp = 0.d0 reac_third_body_number = 0 reac_third_body_name = no reac_third_body_eff = 0.d0 ! 2S-BFER Reaction #2 : CO + 0.5 O2 <=> CO2 !---------------------------------- reac_name = CH4-AIR-2S-BFER-2 reac_species_number = 3 reac_species_name = CO O2 CO2 reac_stoich_coeff = -1.d0 -0.5d0 1.d0 reac_Arrh_fwd_coeff = 1.d0 0.5d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 1.d0 reac_preexp = -2.0d8 reac_act_energ = 12000.0d0 reac_temp_exp = 0.7d0 reac_third_body_number = 0 reac_third_body_name = no reac_third_body_eff = 0.d0 !-------------------------------------------------------------------------------------------------- ! Reactive mixture CH4/AIR for FPI-NOX !-------------------------------------------------------------------------------------------------- mixture_name = CH4-AIR-2S_NOX validity_info = ? transport = computed combustion_chemistry = reduced pollutant_chemistry = tabulated lookup_table = ../CHEMTABLE/chemtable_300Z_100C_Mix_W_10sc.dat number_elt_source_terms = 5 number_elt_Yc = 100 number_elt_Yc2 = 10 number_elt_z = 300 species_name = CH4 CO2 CO O2 H2O N2 species_Schmidt_number = 0.685853d0 0.685853d0 0.685853d0 0.685853d0 0.685853d0 0.685853d0 viscosity_law = power mu_ref = 1.807d-5 T_ref = 300.d0 viscosity_law_coeff = 0.682d0 prandtl_number = 0.68d0 atom_for_z_calculation = C fuel_tank_composition = 1.d0 0.d0 0.d0 0.d0 0.d0 0.d0 oxydizer_tank_composition = 0.d0 0.d0 0.d0 0.233d0 0.d0 0.767d0 ! 2S-NOX Reaction #1 : CH4 + 1.5 O2 => CO + 2 H2O !----------------------------------------- reac_name = CH4-AIR-2S-NOX-1 reac_species_number = 4 reac_species_name = CH4 O2 CO H2O reac_stoich_coeff = -1.d0 -1.5d0 1.d0 2.d0 reac_Arrh_fwd_coeff = 0.65d0 0.70d0 0.d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 0.d0 0.d0 reac_preexp = 1.30d11 reac_act_energ = 35000.0d0 reac_temp_exp = 0.d0 reac_third_body_number = 0 reac_third_body_name = no reac_third_body_eff = 0.d0 ! 2S-NOX Reaction #2 : CO + 0.5 O2 <=> CO2 !---------------------------------- reac_name = CH4-AIR-2S-NOX-2 reac_species_number = 3 reac_species_name = CO O2 CO2 reac_stoich_coeff = -1.d0 -0.5d0 1.d0 reac_Arrh_fwd_coeff = 1.d0 0.5d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 1.d0 reac_preexp = -2.0d9 reac_act_energ = 12000.0d0 reac_temp_exp = 0.d0 reac_third_body_number = 0 reac_third_body_name = no reac_third_body_eff = 0.d0 !-------------------------------------------------------------------------------------------------- ! Reactive mixture CH4/AIR for FPI-PCM !-------------------------------------------------------------------------------------------------- mixture_name = CH4-AIR-FPI-PCM validity_info = ? transport = computed combustion_chemistry = tabulated_fpi_rrate pollutant_chemistry = no lookup_table = ../TABLE_FPI/table_Wi_1.30.dat number_elt_source_terms = 11 number_elt_Yc = 145 number_elt_Yc2 = 1 number_elt_z = 1 number_elt_z2 = 1 number_elt_temperature = 1 inlet_fuel_mass_fraction = 0.07042d0 inlet_oxygen_mass_fraction = 0.21668d0 species_name = N2 O2 CH4 CO2 CO H2O H2 H C2H2 species_Schmidt_number = 0.7d0 0.7d0 0.7d0 0.7d0 0.7d0 0.7d0 0.7d0 0.7d0 0.7d0 viscosity_law = power mu_ref = 1.8405d-5 T_ref = 300.d0 viscosity_law_coeff = 0.6759d0 prandtl_number = 0.70d0 !--------------------------------------------------------------------------------------------------------------------- ! Non reactive mixture AIR with thermo of KERO_LUCHE-AIR-2S_BFER reactive scheme. For cold premixed cases. !--------------------------------------------------------------------------------------------------------------------- mixture_name = KERO_LUCHE-AIR-2S-BFER_PREMIX transport = computed combustion_chemistry = no species_name = AIR species_Schmidt_number = 0.739d0 viscosity_law = power mu_ref = 2.5034d-5 T_ref = 473.d0 viscosity_law_coeff = 0.6695d0 prandtl_number = 0.739d0 !--------------------------------------------------------------------------------------------------------------------- ! Non reactive mixture CH4/AIR with thermo of KERO_LUCHE-AIR-2S_BFER reactive scheme. For cold non-premixed cases. !--------------------------------------------------------------------------------------------------------------------- mixture_name = KERO_LUCHE-AIR-2S-BFER_NONPREMIX transport = computed combustion_chemistry = no species_name = KERO_LUCHE O2 N2 species_Schmidt_number = 0.739d0 0.739d0 0.739d0 viscosity_law = power mu_ref = 2.5034d-5 T_ref = 473.d0 viscosity_law_coeff = 0.6695d0 prandtl_number = 0.739d0 !--------------------------------------------------------------------------------------------------------------------- ! Reactive mixture KERO_LUCHE/AIR. Reduced chemistry with PEA formalism, 2S-BFER scheme. !--------------------------------------------------------------------------------------------------------------------- mixture_name = KERO_LUCHE-AIR-2S-BFER_FLAMMABLE validity_info = 300-700K/1-12atm transport = computed combustion_chemistry = reduced_pea species_name = KERO_LUCHE CO2 CO O2 H2O N2 species_Schmidt_number = 0.739d0 0.739d0 0.739d0 0.739d0 0.739d0 0.739d0 viscosity_law = power mu_ref = 2.5034d-5 T_ref = 473.d0 viscosity_law_coeff = 0.6695d0 prandtl_number = 0.739d0 pea_method = pea2 pea_coeff = 1.173d0 0.04d0 0.29d0 1.2d0 0.02d0 7.1d0 1.8d0 0.18d0 pea_coeff = 1.146d0 0.045d0 0.00015d0 1.2d0 0.04d0 0.035d0 1.215d0 0.03d0 1.32d0 0.09d0 atom_for_z_calculation = C fuel_tank_composition = 1.d0 0.d0 0.d0 0.d0 0.d0 0.d0 oxydizer_tank_composition = 0.d0 0.d0 0.d0 0.233d0 0.d0 0.767d0 ! 2S-BFER Reaction #1 : KERO_LUCHE + 10 O2 => 10 CO + 10 H2O !----------------------------------------- reac_name = KERO_LUCHE-AIR-2S-BFER-1 reac_species_number = 4 reac_species_name = KERO_LUCHE O2 CO H2O reac_stoich_coeff = -1.d0 -10d0 10.d0 10.d0 reac_Arrh_fwd_coeff = 0.55d0 0.9d0 0.d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 0.d0 0.d0 reac_preexp = 0.8000d12 reac_act_energ = 41500.0d0 reac_temp_exp = 0.d0 reac_third_body_number = 0 reac_third_body_name = no reac_third_body_eff = 0.d0 ! 2S-BFER Reaction #2 : CO + 0.5 O2 <=> CO2 !---------------------------------- reac_name = KERO_LUCHE-AIR-2S-BFER-2 reac_species_number = 3 reac_species_name = CO O2 CO2 reac_stoich_coeff = -1.d0 -0.5d0 1.d0 reac_Arrh_fwd_coeff = 1.d0 0.5d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 1.d0 reac_preexp = -4.5d10 reac_act_energ = 20000.0d0 reac_temp_exp = 0.d0 reac_third_body_number = 0 reac_third_body_name = no reac_third_body_eff = 0.d0 !-------------------------------------------------------------------------------------------------- ! Reactive mixture C8H18/AIR. Reduced chemistry, 2S-BE2 scheme. !-------------------------------------------------------------------------------------------------- mixture_name = C8H18-AIR-2S-BE2 validity_info = 300-790K/1-30bar/phi:1 transport = computed combustion_chemistry = reduced species_name = CO C8H18 CO2 H2O N2 O2 species_Schmidt_number = 0.7444d0 2.0167d0 0.9461d0 0.5432d0 0.6950d0 0.7343d0 viscosity_law = power mu_ref = 7.1659d-5 T_ref = 2240.d0 viscosity_law_coeff = 0.6624d0 prandtl_number = 0.69d0 atom_for_z_calculation = C fuel_tank_composition = 0.d0 1.d0 0.d0 0.d0 0.d0 0.d0 oxydizer_tank_composition = 0.d0 0.d0 0.d0 0.d0 0.767d0 0.233d0 ! 2S-BE2 Reaction #1 : C8H18 + 8.5 O2 => 8 CO + 9 H2O !----------------------------------------- reac_name = C8H18-AIR-2S-BE2-1 reac_species_number = 4 reac_species_name = C8H18 O2 CO H2O reac_stoich_coeff = -1.d0 -8.5d0 8.d0 9.d0 reac_Arrh_fwd_coeff = 1.10d0 0.54d0 0.d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 0.d0 0.d0 reac_preexp = 5.443d12 reac_act_energ = 36000.0d0 reac_temp_exp = 0.1d0 reac_third_body_number = 0 reac_third_body_name = no reac_third_body_eff = 0.d0 ! 2S-BE2 Reaction #2 : CO + 0.5 O2 <=> CO2 !---------------------------------- reac_name = C8H18-AIR-2S-BE2-2 reac_species_number = 3 reac_species_name = CO O2 CO2 reac_stoich_coeff = -1.d0 -0.5d0 1.d0 reac_Arrh_fwd_coeff = 1.d0 0.5d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 1.d0 reac_preexp = -2.0d9 reac_act_energ = 14000.0d0 reac_temp_exp = 0.d0 reac_third_body_number = 0 reac_third_body_name = no reac_third_body_eff = 0.d0 !-------------------------------------------------------------------------------------------------- ! Reactive mixture C3H8/AIR Reduced chemistry, 2S-BE2 scheme. !-------------------------------------------------------------------------------------------------- mixture_name = C3H8-AIR-2S-BE2 transport = computed combustion_chemistry = reduced species_name = CO C3H8 CO2 H2O N2 O2 species_Schmidt_number = 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 viscosity_law = power mu_ref = 1.788d-5 T_ref = 300.d0 viscosity_law_coeff = 0.686d0 prandtl_number = 1.00d0 atom_for_z_calculation = C fuel_tank_composition = 0.d0 1.d0 0.d0 0.d0 0.d0 0.d0 oxydizer_tank_composition = 0.d0 0.d0 0.d0 0.d0 0.767d0 0.233d0 ! 2S-BE2 Reaction #1 : C3H8 + 3.5 O2 => 3 CO + 4 H2O !----------------------------------------- reac_name = C3H8-AIR-2S-BE2-1 reac_species_number = 4 reac_species_name = C8H18 O2 CO H2O reac_stoich_coeff = -1.d0 -3.5d0 3.d0 4.d0 reac_Arrh_fwd_coeff = 0.8d0 0.86d0 0.d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 0.d0 0.d0 reac_preexp = 5.82320d12 reac_act_energ = 34000.0d0 reac_temp_exp = 0.1d0 reac_third_body_number = 0 reac_third_body_name = no reac_third_body_eff = 0.d0 ! 2S-BE2 Reaction #2 : CO + 0.5 O2 <=> CO2 !---------------------------------- reac_name = C3H8-AIR-2S-BE2-2 reac_species_number = 3 reac_species_name = CO O2 CO2 reac_stoich_coeff = -1.d0 -0.5d0 1.d0 reac_Arrh_fwd_coeff = 1.d0 0.5d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 1.d0 reac_preexp = -2.0d9 reac_act_energ = 12000.0d0 reac_temp_exp = 0.d0 reac_third_body_number = 0 reac_third_body_name = no reac_third_body_eff = 0.d0 !-------------------------------------------------------------------------------------------------- ! Reactive mixture CH4/AIR for CFM !-------------------------------------------------------------------------------------------------- mixture_name = CH4-AIR-CFM transport = computed burnt_gas_chemistry = no species_name = CH4 O2 CO2 H2O CH4_BG CO H2 N2 species_Schmidt_number = 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 viscosity_law = power mu_ref = 1.788d-5 T_ref = 300.d0 viscosity_law_coeff = 0.686d0 prandtl_number = 1.00d0 ! CFM burnt gas Reaction #1 : CH4_BG + 1.5 O2 => CO + 2H2O !----------------------------------------- reac_name = CH4-AIR-CFM-1 reac_species_number = 4 reac_species_name = CH4_BG O2 CO H2O reac_stoich_coeff = -1.d0 -1.5d0 1d0 2d0 reac_Arrh_fwd_coeff = 0.55d0 0.9d0 0.d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 0.d0 0.d0 reac_preexp = 0.605d12 reac_act_energ = 41500.0d0 ! CFM burnt gas Reaction #2 : CO + 0.5O2 <=> CO2 !---------------------------------- reac_name = CH4-AIR-CFM-2 reac_species_number = 3 reac_species_name = CO O2 CO2 reac_stoich_coeff = -1.d0 -0.5d0 1.d0 reac_Arrh_fwd_coeff = 1.00d0 0.5d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 1.d0 reac_preexp = -9.d8 reac_act_energ = 40000.0d0 !-------------------------------------------------------------------------------------------------- ! Reactive mixture C3H8/AIR for CFM !-------------------------------------------------------------------------------------------------- mixture_name = C3H8-AIR-CFM transport = computed burnt_gas_chemistry = no species_name = C3H8 O2 CO2 H2O C3H8_BG CO H2 N2 species_Schmidt_number = 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 viscosity_law = power mu_ref = 1.788d-5 T_ref = 300.d0 viscosity_law_coeff = 0.686d0 prandtl_number = 1.00d0 ! CFM burnt gas Reaction #1 : C3H8_BG + 3.5O2 => 3CO + 4H2O !----------------------------------------- reac_name = C3H8-AIR-CFM-1 reac_species_number = 4 reac_species_name = C3H8_BG O2 CO H2O reac_stoich_coeff = -1.d0 -3.5d0 3d0 4d0 reac_Arrh_fwd_coeff = 0.55d0 0.9d0 0.d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 0.d0 0.d0 reac_preexp = 0.605d12 reac_act_energ = 41500.0d0 ! CFM burnt gas Reaction #2 : CO + 0.5O2 <=> CO2 !---------------------------------- reac_name = C3H8-AIR-CFM-2 reac_species_number = 3 reac_species_name = CO O2 CO2 reac_stoich_coeff = -1.d0 -0.5d0 1.d0 reac_Arrh_fwd_coeff = 1.00d0 0.5d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 1.d0 reac_preexp = -9.d8 reac_act_energ = 40000.0d0 !-------------------------------------------------------------------------------------------------- ! Reactive mixture C7H12/AIR for CFM !-------------------------------------------------------------------------------------------------- mixture_name = C7H12-AIR-CFM transport = computed burnt_gas_chemistry = no species_name = C7H12 O2 CO2 H2O C7H12_BG CO H2 N2 species_Schmidt_number = 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 viscosity_law = power mu_ref = 1.788d-5 T_ref = 300.d0 viscosity_law_coeff = 0.686d0 prandtl_number = 1.00d0 ! CFM burnt gas Reaction #1 : C7H12_BG + 6.5O2 => 7CO + 6H2O !----------------------------------------- reac_name = C7H12-AIR-CFM-1 reac_species_number = 4 reac_species_name = C7H12_BG O2 CO H2O reac_stoich_coeff = -1.d0 -6.5d0 7d0 6d0 reac_Arrh_fwd_coeff = 0.55d0 0.9d0 0.d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 0.d0 0.d0 reac_preexp = 0.605d12 reac_act_energ = 41500.0d0 ! CFM burnt gas Reaction #2 : CO + 0.5O2 <=> CO2 !---------------------------------- reac_name = C7H12-AIR-CFM-2 reac_species_number = 3 reac_species_name = CO O2 CO2 reac_stoich_coeff = -1.d0 -0.5d0 1.d0 reac_Arrh_fwd_coeff = 1.00d0 0.5d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 1.d0 reac_preexp = -9.d8 reac_act_energ = 40000.0d0 !-------------------------------------------------------------------------------------------------- ! Reactive mixture C8H18/AIR for CFM !-------------------------------------------------------------------------------------------------- mixture_name = C8H18-AIR-CFM transport = computed burnt_gas_chemistry = no species_name = C8H18 O2 CO2 H2O C8H18_BG CO H2 N2 species_Schmidt_number = 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 viscosity_law = power mu_ref = 1.788d-5 T_ref = 300.d0 viscosity_law_coeff = 0.686d0 prandtl_number = 1.00d0 ! CFM burnt gas Reaction #1 : C8H18_BG + 8.5O2 => 8CO + 9H2O !----------------------------------------- reac_name = C8H18-AIR-CFM-1 reac_species_number = 4 reac_species_name = C8H18_BG O2 CO H2O reac_stoich_coeff = -1.d0 -8.5d0 8.d0 9.d0 reac_Arrh_fwd_coeff = 0.55d0 0.9d0 0.d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 0.d0 0.d0 reac_preexp = 0.605d12 reac_act_energ = 41500.0d0 ! CFM burnt gas Reaction #2 : CO + 0.5O2 <=> CO2 !---------------------------------- reac_name = C8H18-AIR-CFM-2 reac_species_number = 3 reac_species_name = CO O2 CO2 reac_stoich_coeff = -1.d0 -0.5d0 1.d0 reac_Arrh_fwd_coeff = 1.00d0 0.5d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 1.d0 reac_preexp = -9.d8 reac_act_energ = 40000.0d0 !--------------------------------------------------------------------------------------------------------------------- ! Reactive mixture C2H4/AIR with thermo of C2H4-AIR-2S_BFER reactive scheme. For cold non-premixed cases. !--------------------------------------------------------------------------------------------------------------------- mixture_name = C2H4-AIR-2S-BFER_FLAMMABLE transport = computed combustion_chemistry = reduced_pea species_name = C2H4 CO2 CO O2 H2O N2 species_Schmidt_number = 0.7d0 0.7d0 0.7d0 0.7d0 0.7d0 0.7d0 viscosity_law = power mu_ref = 1.8405d-5 T_ref = 300.d0 viscosity_law_coeff = 0.6759d0 prandtl_number = 0.7d0 pea_method = pea2 pea_coeff = 1.06d0 0.05d0 0.18d0 1.05d0 0.055d0 2.0d0 1.6d0 0.15d0 pea_coeff = 0.95d0 0.08d0 2.5d-5 1.3d0 0.04d0 0.0087d0 1.2d0 0.04d0 1.2d0 0.05d0 atom_for_z_calculation = C fuel_tank_composition = 1.d0 0.d0 0.d0 0.d0 0.d0 0.d0 oxydizer_tank_composition = 0.d0 0.d0 0.d0 0.233d0 0.d0 0.767d0 soot_chemistry = tabulated lookup_table = ./table_hybrid_p3.h5 ! 2S-BFER Reaction #1 : C2H4 + 2 O2 => 2 CO + 2 H2O !----------------------------------------- reac_name = C2H4-AIR-2S-BFER-1 reac_species_number = 4 reac_species_name = C2H4 O2 CO H2O reac_stoich_coeff = -1.d0 -2.d0 2.d0 2.d0 reac_Arrh_fwd_coeff = 0.5d0 0.65d0 0.d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 0.d0 0.d0 reac_preexp = 10.d9 reac_act_energ = 35500.0d0 reac_temp_exp = 0.d0 reac_third_body_number = 0 reac_third_body_name = no reac_third_body_eff = 0.d0 ! 2S-BFER Reaction #2 : CO + 0.5 O2 <=> CO2 !---------------------------------- reac_name = C2H4-AIR-2S-BFER-2 reac_species_number = 3 reac_species_name = CO O2 CO2 reac_stoich_coeff = -1.d0 -0.5d0 1.d0 reac_Arrh_fwd_coeff = 1.d0 0.5d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 1.d0 reac_preexp = -2.0d8 reac_act_energ = 12000.0d0 reac_temp_exp = 0.7d0 reac_third_body_number = 0 reac_third_body_name = no reac_third_body_eff = 0.d0 !-------------------------------------------------------------------------------------------------- ! Reactive mixture GASOLINE/AIR for CFM !-------------------------------------------------------------------------------------------------- mixture_name = GASOLINE-AIR-CFM transport = computed burnt_gas_chemistry = no species_name = GASOLINE O2 CO2 H2O GASOLINE_BG CO H2 N2 species_Schmidt_number = 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 viscosity_law = power mu_ref = 1.788d-5 T_ref = 300.d0 viscosity_law_coeff = 0.686d0 prandtl_number = 1.00d0 ! CFM burnt gas Reaction #1 : GASOLINE_BG + 6.28625 O2 => 6.764 CO + 5.8835 H2O !----------------------------------------- reac_name = GASOLINE-AIR-CFM-1 reac_species_number = 4 reac_species_name = GASOLINE_BG O2 CO H2O reac_stoich_coeff = -1.d0 -6.28625d0 6.674d0 5.8835d0 reac_Arrh_fwd_coeff = 0.55d0 0.9d0 0.d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 0.d0 0.d0 reac_preexp = 0.605d12 reac_act_energ = 41500.0d0 ! CFM burnt gas Reaction #2 : CO + 0.5O2 <=> CO2 !---------------------------------- reac_name = GASOLINE-AIR-CFM-2 reac_species_number = 3 reac_species_name = CO O2 CO2 reac_stoich_coeff = -1.d0 -0.5d0 1.d0 reac_Arrh_fwd_coeff = 1.00d0 0.5d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 1.d0 reac_preexp = -9.d8 reac_act_energ = 40000.0d0 !-------------------------------------------------------------------------------------------------- ! Reactive mixture E10/AIR for CFM !-------------------------------------------------------------------------------------------------- mixture_name = E10-AIR-CFM transport = computed burnt_gas_chemistry = no species_name = E10 O2 CO2 H2O E10_BG CO H2 N2 species_Schmidt_number = 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 viscosity_law = power mu_ref = 1.788d-5 T_ref = 300.d0 viscosity_law_coeff = 0.686d0 prandtl_number = 1.00d0 ! CFM burnt gas Reaction #1 : E10_BG + 5.59605 O2 => 5.837 CO + 5.61 H2O !----------------------------------------- reac_name = E10-AIR-CFM-1 reac_species_number = 4 reac_species_name = E10_BG O2 CO H2O reac_stoich_coeff = -1.d0 -5.59605d0 5.837d0 5.61d0 reac_Arrh_fwd_coeff = 0.55d0 0.9d0 0.d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 0.d0 0.d0 reac_preexp = 0.605d12 reac_act_energ = 41500.0d0 ! CFM burnt gas Reaction #2 : CO + 0.5O2 <=> CO2 !---------------------------------- reac_name = E10-AIR-CFM-2 reac_species_number = 3 reac_species_name = CO O2 CO2 reac_stoich_coeff = -1.d0 -0.5d0 1.d0 reac_Arrh_fwd_coeff = 1.00d0 0.5d0 0.d0 reac_Arrh_bwd_coeff = 0.d0 0.d0 1.d0 reac_preexp = -9.d8 reac_act_energ = 40000.0d0 !--------------------------------------------------------------------------------------------------------------------- ! Non reactive mixture C7H16/AIR with thermo of C7H16-AIR-QPF. For cold non-premixed cases. !--------------------------------------------------------------------------------------------------------------------- mixture_name = C7H16-AIR-QPF transport = computed combustion_chemistry = no species_name = C7H16 O2 N2 species_Schmidt_number = 1.919d0 0.735d0 0.675d0 viscosity_law = power mu_ref = 1.788d-5 T_ref = 300.d0 viscosity_law_coeff =0.686d0 prandtl_number = 0.69d0 !--------------------------------------------------------------------------------------------------------------------- ! Non reactive mixture N2/O2. Used in QPF Waves at high Mach number. !--------------------------------------------------------------------------------------------------------------------- mixture_name = N2-O2-QPF transport = computed combustion_chemistry = no species_name = N2 O2 species_Schmidt_number = 0.75d0 0.75d0 viscosity_law = power mu_ref = 1.935d-5 T_ref = 300.00d0 viscosity_law_coeff = 0.76d0 prandtl_number = 0.75d0 !-------------------------------------------------------------------------------------------------- ! Analytical Scheme CH4_NOX_22_320_18_TJ. 22 species, 320 reactions, 18 qss. !-------------------------------------------------------------------------------------------------- mixture_name = CH4_NOX_22_320_18_TJ validity_info = 300K/1bar transport = computed combustion_chemistry = analytic species_name = N2 H H2 O O2 OH H2O H2O2 HO2 CO CH2O CH3 CH3OH C2H2 CH4 C2H6 C2H4 CO2 NO HCN NO2 N2O species_Schmidt_number = 0.7336d0 0.1246d0 0.2085d0 0.4853d0 0.7463d0 0.4945d0 0.5506d0 0.7561d0 0.7510d0 0.7569d0 0.8659d0 0.6812d0 0.8866d0 0.8927d0 0.6851d0 0.9900d0 0.9004d0 0.9559d0 0.7630d0 0.8636d0 0.8557d0 0.9423d0 viscosity_law = power mu_ref = 1.8405d-5 T_ref = 300.d0 viscosity_law_coeff = 0.6759d0 prandtl_number = 0.7019d0 fuel_tank_composition = 0.0d0 0.d0 0.d0 0.d0 0.0d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 1.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 oxydizer_tank_composition = 0.767d0 0.d0 0.d0 0.d0 0.233d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 !--------------------------------------------------------------------------------------------------------------------- ! Analytical scheme of Lu. 13 species, 73 reactions, 4 qss. !--------------------------------------------------------------------------------------------------------------------- mixture_name = CH4_13_73_4_LU validity_info = 300K/1bar transport = computed chemistry_subcycle_iterations = 15 combustion_chemistry = analytic species_name = H2 H O O2 OH H2O HO2 CH3 CH4 CO CO2 CH2O N2 ! Take the Schmidt from 1D flame species_Schmidt_number = 0.21d0 0.12d0 0.49d0 0.75d0 0.5d0 0.55d0 0.75d0 0.68d0 0.69d0 0.76d0 0.96d0 0.87d0 0.74d0 viscosity_law = power mu_ref = 1.66598d-5 T_ref = 275.5d0 viscosity_law_coeff = 0.72124d0 prandtl_number = 0.70d0 fuel_tank_composition = 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 1.d0 0.d0 0.d0 0.d0 0.d0 oxydizer_tank_composition = 0.d0 0.d0 0.d0 0.233d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.767d0 !-------------------------------------------------------------------------------------------------- ! Analytical Scheme 29 esp et 11 QSS !-------------------------------------------------------------------------------------------------- mixture_name = PPB_Sp29_Re172_QSS11 validity_info = 300K/3bar transport = computed combustion_chemistry = analytic species_name = N2 H H2 O OH O2 H2O2 H2O HO2 CO CH3 CH2O CO2 CH4 C2H2 C2H4 CH2CO C2H6 species_Schmidt_number = 0.6909609791844d0 0.1202872532102d0 0.1669530280622d0 0.4984122016245d0 0.5037131632533d0 0.7484193156417d0 0.7262712022830d0 0.6467090044383d0 0.7070151426025d0 0.7166163517317d0 0.6380968759017d0 0.9520896027836d0 0.9216584817895d0 0.6570792914406d0 0.8413825672992d0 0.8377524319737d0 0.9906383394889d0 1.001774351670d0 viscosity_law = power mu_ref = 2.5034d-5 T_ref = 473.d0 viscosity_law_coeff = 0.6695d0 prandtl_number = 0.68d0 !-------------------------------------------------------------------------------------------------- ! Analytical Scheme C3H8_22_173_12_FC. 22 species, 173 reactions, 12 qss. !-------------------------------------------------------------------------------------------------- mixture_name = C3H8_22_173_12_FC validity_info = 288K/1bar/phi:0.5-1.6 transport = computed combustion_chemistry = analytic species_name = N2 O O2 H OH H2 H2O H2O2 HO2 CO CH2O CH3 C2H6 CH4 C2H4 CO2 CH3O2 CH3O2H C2H2 C3H6 C3H5O C3H8 species_Schmidt_number = 0.748827310295d0 0.489795232575d0 0.751235683823d0 0.126368372535d0 0.49916661014d0 0.209273627165d0 0.558397961675d0 0.761743854857d0 0.756588031026d0 0.762379561801d0 0.872261272254d0 0.686758132872d0 1.00819609292d0 0.689694998114d0 0.784664560879d0 0.96136550467d0 0.96626780892d0 0.970051352609d0 0.827754718483d0 1.04640506543d0 1.34417743156d0 1.2481199552d0 viscosity_law = power mu_ref = 1.707343d-05 T_ref = 288.d0 viscosity_law_coeff = 0.69535d0 prandtl_number = 0.6623941207d0 !-------------------------------------------------------------------------------------------------- ! Analytical Scheme NC12H26_25_373_27_TJ. Dodecane 25 species, 373 reactions, 27 QSS by Thomas Jaravel !-------------------------------------------------------------------------------------------------- mixture_name = NC12H26_25_373_27_TJ validity_info = 600K/10bar transport = computed combustion_chemistry = analytic species_name = N2 O H OH H2 H2O2 H2O O2 HO2 CO CH2O CH3 CO2 CH4 C2H4 C2H6 CH2CO C2H2 C3H6 C4H81 C4H6 C6H6 C5H10 C6H12 NC12H26 chemistry_subcycle_iterations = 10 species_Schmidt_number = 0.7054D0 0.4796D0 0.1228D0 0.4887D0 0.2051D0 0.7472D0 0.5483D0 0.7379D0 0.7420D0 0.7472D0 0.8537D0 0.6713D0 0.9477D0 0.6745D0 0.8882D0 0.9766D0 1.0093D0 0.8803D0 1.2488D0 1.4113D0 1.4038D0 1.5577D0 1.5473D0 1.7073D0 2.5397D0 viscosity_law = power mu_ref = 2.5034D-5 T_ref = 473.D0 viscosity_law_coeff = 0.6695D0 prandtl_number = 0.697496173671D0 atom_for_z_calculation = C fuel_tank_composition = 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 1.0d0 oxydizer_tank_composition = 0.77d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.23d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 !-------------------------------------------------------------------------------------------------- ! Reactive mixture H2/O2. 8 species, 12 steps chemistry. !-------------------------------------------------------------------------------------------------- mixture_name = H2-O2-12S validity_info = 300-790K/1-30bar/phi:1 transport = computed chemistry_subcycle_iterations = 30 combustion_chemistry = reduced species_name = H2 H O2 OH O H2O HO2 H2O2 species_Schmidt_number = 0.28d0 0.17d0 0.99d0 0.65d0 0.64d0 0.77d0 0.99d0 0.99d0 viscosity_law = sutherland mu_ref = 1.788d-5 T_ref = 300.d0 viscosity_law_coeff = 110.4d0 prandtl_number = 0.65d0 atom_for_z_calculation = H fuel_tank_composition = 1.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 0.d0 oxydizer_tank_composition = 0.d0 0.d0 1.d0 0.d0 0.d0 0.d0 0.d0 0.d0 ! 12S Reaction #1 : H + O2 => OH + O !----------------------------------------- reac_name = H2-O2-12S-1 reac_species_number = 4 reac_species_name = H O2 OH O reac_stoich_coeff = -1.d0 -1.d0 1.d0 1.0d0 reac_Arrh_fwd_coeff = 1.0d0 1.0d0 0.0d0 0.0d0 reac_Arrh_bwd_coeff = 0.0d0 0.0d0 1.0d0 1.0d0 reac_preexp = -3.52d+16 reac_act_energ = 17069.79d0 reac_temp_exp = -0.700d0 reac_third_body_number = 0 reac_third_body_name = no reac_third_body_eff = 0.d0 ! 12S Reaction #2 : H2 + O => OH + H !----------------------------------------- reac_name = H2-O2-12S-2 reac_species_number = 4 reac_species_name = H2 O OH H reac_stoich_coeff = -1.d0 -1.d0 1.d0 1.0d0 reac_Arrh_fwd_coeff = 1.0d0 1.0d0 0.0d0 0.0d0 reac_Arrh_bwd_coeff = 0.0d0 0.0d0 1.0d0 1.0d0 reac_preexp = -5.060d+04 reac_act_energ = 6290.63d0 reac_temp_exp = 2.670d0 reac_third_body_number = 0 reac_third_body_name = no reac_third_body_eff = 0.d0 ! 12S Reaction #3 : H2 + OH => H2O + H !----------------------------------------- reac_name = H2-O2-12S-3 reac_species_number = 4 reac_species_name = H2 OH H2O H reac_stoich_coeff = -1.d0 -1.d0 1.d0 1.0d0 reac_Arrh_fwd_coeff = 1.0d0 1.0d0 0.0d0 0.0d0 reac_Arrh_bwd_coeff = 0.0d0 0.0d0 1.0d0 1.0d0 reac_preexp = -1.170d+09 reac_act_energ = 3635.28d0 reac_temp_exp = 1.300d0 reac_third_body_number = 0 reac_third_body_name = no reac_third_body_eff = 0.d0 ! 12S Reaction #4 : H + O2 => HO2 !----------------------------------------- reac_name = H2-O2-12S-4 reac_species_number = 3 reac_species_name = H O2 HO2 reac_stoich_coeff = -1.d0 -1.d0 1.d0 reac_Arrh_fwd_coeff = 1.0d0 1.0d0 0.0d0 reac_Arrh_bwd_coeff = 0.0d0 0.0d0 1.0d0 reac_preexp = 5.75d19 reac_act_energ = 0.00d0 reac_temp_exp = -1.4d0 reac_third_body_number = 8 reac_third_body_name = O2 H2O H2 HO2 H2O2 OH O H reac_third_body_eff = 1.d0 16.0d0 2.5d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 ! 12S Reaction #5 : HO2 + H => 2 OH !----------------------------------------- reac_name = H2-O2-12S-5 reac_species_number = 3 reac_species_name = HO2 H OH reac_stoich_coeff = -1.d0 -1.d0 2.d0 reac_Arrh_fwd_coeff = 1.0d0 1.0d0 0.0d0 reac_Arrh_bwd_coeff = 0.0d0 0.0d0 2.0d0 reac_preexp = 7.08d+13 reac_act_energ = 295.0d0 reac_temp_exp = 0.000d0 reac_third_body_number = 0 reac_third_body_name = no reac_third_body_eff = 0.d0 ! 12S Reaction #6 : HO2 + H => H2 + O2 !----------------------------------------- reac_name = H2-O2-12S-6 reac_species_number = 4 reac_species_name = HO2 H H2 O2 reac_stoich_coeff = -1.d0 -1.d0 1.d0 1.0d0 reac_Arrh_fwd_coeff = 1.0d0 1.0d0 0.0d0 0.0d0 reac_Arrh_bwd_coeff = 0.0d0 0.0d0 1.0d0 1.0d0 reac_preexp = -1.66d13 reac_act_energ = 8.23d02 reac_temp_exp = 0.000d0 reac_third_body_number = 0 reac_third_body_name = no reac_third_body_eff = 0.d0 ! 12S Reaction #7 : HO2 + OH => H2O + O2 !----------------------------------------- reac_name = H2-O2-12S-7 reac_species_number = 4 reac_species_name = HO2 OH H2O O2 reac_stoich_coeff = -1.d0 -1.d0 1.d0 1.0d0 reac_Arrh_fwd_coeff = 1.0d0 1.0d0 0.0d0 0.0d0 reac_Arrh_bwd_coeff = 0.0d0 0.0d0 1.0d0 1.0d0 reac_preexp = 2.890d13 reac_act_energ = -497.13d0 reac_temp_exp = 0.000d0 reac_third_body_number = 0 reac_third_body_name = no reac_third_body_eff = 0.d0 ! 12S Reaction #8 : H + OH => H2O !----------------------------------------- reac_name = H2-O2-12S-8 reac_species_number = 3 reac_species_name = H OH H2O reac_stoich_coeff = -1.d0 -1.d0 1.d0 reac_Arrh_fwd_coeff = 1.0d0 1.0d0 0.0d0 reac_Arrh_bwd_coeff = 0.0d0 0.0d0 1.0d0 reac_preexp = -4.00d22 reac_act_energ = 0.00d0 reac_temp_exp = -2.000d0 reac_third_body_number = 8 reac_third_body_name = H2 H2O O2 HO2 H2O2 OH O H reac_third_body_eff = 2.5d0 12.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 ! 12S Reaction #9 : 2 H => H2 !----------------------------------------- reac_name = H2-O2-12S-9 reac_species_number = 2 reac_species_name = H H2 reac_stoich_coeff = -2.d0 1.d0 reac_Arrh_fwd_coeff = 2.0d0 0.0d0 reac_Arrh_bwd_coeff = 0.0d0 1.0d0 reac_preexp = -1.300d18 reac_act_energ = 0.00d0 reac_temp_exp = -1.000d0 reac_third_body_number = 8 reac_third_body_name = H2 H2O O2 HO2 H2O2 OH O H reac_third_body_eff = 2.5d0 12.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 ! 12S Reaction #10 : 2 HO2 => H2O2 + O2 !----------------------------------------- reac_name = H2-O2-12S-10 reac_species_number = 3 reac_species_name = HO2 H2O2 O2 reac_stoich_coeff = -2.d0 1.d0 1.0d0 reac_Arrh_fwd_coeff = 2.0d0 0.0d0 0.0d0 reac_Arrh_bwd_coeff = 0.0d0 1.0d0 1.0d0 reac_preexp = 3.020d+12 reac_act_energ = 1386.23d0 reac_temp_exp = 0.000d0 reac_third_body_number = 0 reac_third_body_name = no reac_third_body_eff = 0.0d0 ! 12S Reaction #11 : HO2 + H2 => H2O2 + H !----------------------------------------- reac_name = H2-O2-12S-11 reac_species_number = 4 reac_species_name = HO2 H2 H2O2 H reac_stoich_coeff = -1.0d0 -1.0d0 1.0d0 1.0d0 reac_Arrh_fwd_coeff = 1.0d0 1.0d0 0.0d0 0.0d0 reac_Arrh_bwd_coeff = 0.0d0 0.0d0 1.0d0 1.0d0 reac_preexp = 1.62439d11 reac_act_energ = 2.3933d04 reac_temp_exp = 0.606961d0 reac_third_body_number = 0 reac_third_body_name = no reac_third_body_eff = 0.0d0 ! 12S Reaction #12 : H2O2 => 2 OH !----------------------------------------- reac_name = H2-O2-12S-12 reac_species_number = 2 reac_species_name = H2O2 OH reac_stoich_coeff = -1.d0 2.d0 reac_Arrh_fwd_coeff = 1.0d0 0.0d0 reac_Arrh_bwd_coeff = 0.0d0 2.0d0 reac_preexp = 8.15d23 reac_act_energ = 49621.18d0 reac_temp_exp = -1.9d0 reac_third_body_number = 8 reac_third_body_name = H2 H2O HO2 H2O2 OH O H O2 reac_third_body_eff = 2.0d0 6.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 1.0d0 $end_MIXTURE