! REVIEW AND RELEASE DATE: JUNE 17, 2016.
!
elements
 h   c    o   n 
end

species

c8h18	    o2          n2         co2        h2o
co          h           oh         h2o2       ho2
c8h17       c8h16       c8h16ooh   o2c8h16ooh  
c8ket       c6h13       c3h7       c3h6    
c2h4        ch2o        hco        h2   

end

reactions
! ---------------------------------------------------------------------------------------------
! reaction                                      a            n      ea          ! no : ref.
! ---------------------------------------------------------------------------------------------
! i.e. i-c8h18 (iso-octane)
! === low temperature reaction  ===
c8h18 + o2     =  c8h17 + ho2                   2.000e+15    0.00   4.600e+04   !              (1)      
                                          rev / 1.000e+12    0.00   0.000e+00 / !                          
c8h17 + o2     =  c8h16ooh                      5.500e+10    0.00   0.000e+00   !              (2) 
                                          rev / 2.800e+14    0.00   2.740e+04 / !                               
c8h16ooh + o2  =  o2c8h16ooh                    3.160e+11    0.00   0.000e+00   !              (3)       
                                          rev / 2.510e+13    0.00   2.740e+04 / !                      
o2c8h16ooh     =  c8ket + oh                    8.910e+10    0.00   1.700e+04   !              (4)              
c8ket          =  c6h13 + co + ch2o + oh        3.980e+15    0.00   4.300e+04   !      	       (5)                    
c8h18 + oh     =  c8h17 + h2o                   6.000e+13    0.00   3.000e+03   !              (6)       
c8h17 + o2     =  c8h16 + ho2                   3.160e+11    0.00   6.000e+03   !              (7)            
                                          rev / 3.160e+11    0.00   1.950e+04 / !                     
c8h16 + o2     =  c6h13 + ch2o + hco            3.160e+13    0.00   1.000e+04   !              (8)        
c8h18 + ho2    =  c8h17 + h2o2                  1.000e+13    0.00   1.695e+04   !              (9)           
c8h17          =  c6h13 + c2h4                  3.617e+17   -1.27   2.970e+04   !              (10)        
c6h13          =  c3h7 + c3h6                   7.204e+13   -0.03   2.790e+04   !              (11)        
                                                                                                             
! === high-temperature reaction ===                                                                           
c3h7 + o2      =  c3h6 + ho2                    3.000e+11    0.00   3.000e+03   !              (12)        
c3h6 + c3h6    =  c2h4 + c2h4 + c2h4            3.160e+13    0.00   1.000e+04   !              (13)                 
ch2o + oh      =  hco + h2o                     2.430e+10    1.20  -4.470e+02   !              (14)        
hco + o2       =  co + ho2                      1.350e+13    0.00   4.000e+02   !              (15)        
co + oh        =  co2 + h                       6.000e+06    1.30  -7.580e+02   !              (16)        
h2o2 + oh      =  ho2 + h2o                     1.000e+13    0.00   1.800e+03   !              (17)        
h + o2 + m     =  ho2 + m                       2.800e+18   -0.90   0.000e+00   !              (18)        
ho2 + ho2      =  h2o2 + o2                     1.300e+11    0.00  -1.630e+03   !              (19)               
h2o2 + m       =  oh + oh + m                   1.200e+17    0.00   4.600e+04   !              (20)        
c2h4 + o2      =  ch2o + ch2o                   3.000e+13    0.00   3.000e+04   !              (21) 


end