units(length = "cm", time = "s", quantity = "mol", act_energy = "cal/mol") ideal_gas(name = "air", elements = " O H N Ar ", species = """ gri30: O O2 N NO NO2 N2O N2 NH H H2O NH2 AR """, reactions = "all", transport = "Mix", initial_state = state(temperature = 900.0, pressure = OneAtm, mole_fractions = 'O2:0.21, N2:0.78, AR:0.01') ) #------------------------------------------------------------------------------- # Reeaction 77 # 10.5, 9 (a) # Miller & Melius, 24th Symp. on Comb., 1992. reaction( "NH + NO <=> N2O + H", [2.94000E+14, -0.4, 0], options = ["duplicate"]) # Reaction 78 reaction( "NH + NO <=> N2O + H", [-2.16000E+13, -0.23, 0], options = ["negative_A", "duplicate"]) # Second Reaction: # Reaction 90 # 10.6, 9 (b) # Glarborg et al., Int. J. Chem. Kinet., 26, 421, 1994. reaction( "NH2 + NO <=> N2 + H2O", [1.30000E+16, -1.25, 0], options = ["duplicate"]) # Reaction 91 reaction( "NH2 + NO <=> N2 + H2O", [-2.80000E+13, -0.55, 0], options = ["negative_A", "duplicate"]) #------------------------------------------------------------------------------- # Reaction 1 three_body_reaction( "2 O + M <=> O2 + M", [1.20000E+17, -1, 0], efficiencies = " AR:0.83 ") # Reaction 2 reaction( "N + NO <=> N2 + O", [2.70000E+13, 0, 355]) # Reaction 3 reaction( "N + O2 <=> NO + O", [9.00000E+09, 1, 6500]) # Reaction 4 reaction( "N2O + O <=> N2 + O2", [1.40000E+12, 0, 10810]) # Reaction 5 reaction( "N2O + O <=> 2 NO", [2.90000E+13, 0, 23150]) # Reaction 6 falloff_reaction( "N2O (+ M) <=> N2 + O (+ M)", kf = [7.91000E+10, 0, 56020], kf0 = [6.37000E+14, 0, 56640], efficiencies = " AR:0.625 ") # Reaction 7 three_body_reaction( "NO + O + M <=> NO2 + M", [1.06000E+20, -1.41, 0], efficiencies = " AR:0.7 ") # Reaction 8 reaction( "NO2 + O <=> NO + O2", [3.90000E+12, 0, -240])