------------------------------------------------------------------------- 8 ! neqs (number of chemical species) 'H2' 0.28e0 'H' 0.17e0 'O2' 0.99e0 'OH' 0.65e0 'O' 0.64e0 'H2O' 0.77e0 'HO2' 0.99e0 'H2O2' 0.99e0 ------------------------------------------------------------------------- 12 ! nreac (number of chemical reactions) ! Reaction 1 : H+O2<=>OH+O 4 ! nspec (number of species involved in the reaction) 'H' -1.0d0 1.0d0 0.0d0 'O2' -1.0d0 1.0d0 0.0d0 'OH' +1.0d0 0.0d0 1.0d0 'O' +1.0d0 0.0d0 1.0d0 -3.520d+16 ! Pre-exponential factor (cgs) 17069.79d0 ! Activation Energy (cal/mol) -0.700d0 ! temperature exponent 0 ! number of 3rd body species ! Reaction 2 : H2+O<=>OH+H 4 ! nspec (number of species involved in the reaction) 'H2' -1.0d0 1.0d0 0.0d0 'O' -1.0d0 1.0d0 0.0d0 'OH' +1.0d0 0.0d0 1.0d0 'H' +1.0d0 0.0d0 1.0d0 -5.060d+04 ! Pre-exponential factor (cgs) 6290.63d0 ! Activation Energy (cal/mol) 2.670d0 ! temperature exponent 0 ! number of 3rd body species ! Reaction 3 : H2+OH<=>H2O+H 4 ! nspec (number of species involved in the reaction) 'H2' -1.0d0 1.0d0 0.0d0 'OH' -1.0d0 1.0d0 0.0d0 'H2O' +1.0d0 0.0d0 1.0d0 'H' +1.0d0 0.0d0 1.0d0 -1.170d+09 ! Pre-exponential factor (cgs) 3635.28d0 ! Activation Energy (cal/mol) 1.300d0 ! temperature exponent 0 ! number of 3rd body species ! Reaction 4 : H+O2=>HO2 3 ! nspec (number of species involved in the reaction) 'H' -1.0d0 1.0d0 0.0d0 'O2' -1.0d0 1.0d0 0.0d0 'HO2' +1.0d0 0.0d0 1.0d0 4.650d+12 ! Pre-exponential factor (cgs) 0.00d0 ! Activation Energy (cal/mol) 0.440d0 ! temperature exponent 3 ! number of 3rd body species O2 1.0d0 ! species, third body eff H2O 16.00d0 ! species, third body eff H2 2.5d0 ! species, third body eff ! Reaction 5 : HO2+H=>2 OH 3 ! nspec (number of species involved in the reaction) 'HO2' -1.0d0 1.0d0 0.0d0 'H' -1.0d0 1.0d0 0.0d0 'OH' +2.0d0 0.0d0 2.0d0 7.08d+13 ! Pre-exponential factor (cgs) 295.0d0 ! Activation Energy (cal/mol) 0.000d0 ! temperature exponent 0 ! number of 3rd body species ! Reaction 6 : HO2+H<=>H2+O2 4 ! nspec (number of species involved in the reaction) 'HO2' -1.0d0 1.0d0 0.0d0 'H' -1.0d0 1.0d0 0.0d0 'H2' +1.0d0 0.0d0 1.0d0 'O2' +1.0d0 0.0d0 1.0d0 -1.66d+13 ! Pre-exponential factor (cgs) 8.23d+02 ! Activation Energy (cal/mol) 0.000d0 ! temperature exponent 0 ! number of 3rd body species ! Reaction 7 : HO2+OH=>H2O+O2 4 ! nspec (number of species involved in the reaction) 'HO2' -1.0d0 1.0d0 0.0d0 'OH' -1.0d0 1.0d0 0.0d0 'H2O' +1.0d0 0.0d0 1.0d0 'O2' +1.0d0 0.0d0 1.0d0 2.890d+13 ! Pre-exponential factor (cgs) -497.13d0 ! Activation Energy (cal/mol) 0.000d0 ! temperature exponent 0 ! number of 3rd body species ! Reaction 8 : H+OH<=>H2O 3 ! nspec (number of species involved in the reaction) 'H' -1.0d0 1.0d0 0.0d0 'OH' -1.0d0 1.0d0 0.0d0 'H2O' +1.0d0 0.0d0 1.0d0 -4.00d+22 ! Pre-exponential factor (cgs) 0.00d0 ! Activation Energy (cal/mol) -2.000d0 ! temperature exponent 2 ! number of 3rd body species H2 2.50d0 ! species, third body eff H2O 12.0d0 ! species, third body eff ! Reaction 9 : 2 H<=>H2 2 ! nspec (number of species involved in the reaction) 'H' -2.0d0 2.0d0 0.0d0 'H2' +1.0d0 0.0d0 1.0d0 -1.300d+18 ! Pre-exponential factor (cgs) 0.00d0 ! Activation Energy (cal/mol) -1.000d0 ! temperature exponent 2 ! number of 3rd body species H2 2.5d0 ! species, third body eff H2O 12.0d0 ! species, third body eff ! Reaction 10 : 2 HO2=>H2O2+O2 3 ! nspec (number of species involved in the reaction) 'HO2' -2.0d0 2.0d0 0.0d0 'H2O2' +1.0d0 0.0d0 1.0d0 'O2' +1.0d0 0.0d0 1.0d0 3.020d+12 ! Pre-exponential factor (cgs) 1386.23d0 ! Activation Energy (cal/mol) 0.000d0 ! temperature exponent 0 ! number of 3rd body species ! Reaction 11 : H2O2=>2 OH 2 ! nspec (number of species involved in the reaction) 'H2O2' -1.0d0 1.0d0 0.0d0 'OH' +2.0d0 0.0d0 2.0d0 2.62328d+19 ! Pre-exponential factor (cgs) 5.1323d+04 ! Activation Energy (cal/mol) -1.38836d0 ! temperature exponent 2 ! number of 3rd body species H2 2.00d0 ! species, third body eff H2O 6.00d0 ! species, third body eff ! Reaction 12 : HO2+H2=>H2O2+H 4 ! nspec (number of species involved in the reaction) 'HO2' -1.0d0 1.0d0 0.0d0 'H2' -1.0d0 1.0d0 0.0d0 'H2O2' +1.0d0 0.0d0 1.0d0 'H' +1.0d0 0.0d0 1.0d0 1.62439d+11 ! Pre-exponential factor (cgs) 2.3933d+04 ! Activation Energy (cal/mol) 0.606961d0 ! temperature exponent 0 ! number of 3rd body species