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Author(s):   Klippenstein, S.J.; Harding, L.B.
Title:   Kinetics of the H plus NCO reaction
Journal:   Proc. Combust. Inst.
Volume:   32
Page(s):   149 - 155
Year:   2009
Reference type:   Journal article
Squib:   2009KLI/HAR149-155

Reaction:   + NCO → Products
Reaction order:   2
Temperature:   200 - 2500 K
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is low pressure limit
Comments:   Ab initio transition state theory based master equation simulations were used to predict the temperature and pressure dependence of the H + NCO reaction rate and product branching. The collisionless limit rate constant can be represented by a sum of two Arrhenius equations: k (cm3 molecule-1 s-1) = 1.57×10-5 T-1.86 exp(-400 K/T) + 6.18×103 T-3.36 exp(-15630 K/T). This equation is taken from Table 2 of the article. Equation given in the abstract is different.

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