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©NIST, 2013
Accessibility information
Author(s):   Manion, J. A.; Sheen, D. A.; Awan, I. A.
Title:   Evaluated Kinetics of the Reactions of H and CH3 with n-Alkanes: Experiments with n-Butane and a Combustion Model Reaction Network Analysis
Journal:   J. Phys. Chem. A
Volume:   119
Page(s):   7637 - 7658
Year:   2015
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2015MAN/SHE7637-7658

Reaction:   n-C4H10 + ·CH3CH4 + sec-C4H9
Reaction order:   2
Temperature:   859 - 1136 K
Pressure:  1.40 - 4.10 bar
Rate expression:   4.38x10-15 [cm3/molecule s] (T/298 K)3.46 e-21493 [±2760 J/mole]/RT
Category:  Experiment
Data type:   Derived from fitting to a complex mechanism
Pressure dependence:   Rate constant is pressure independent
Experimental procedure:   Shock tube
Excitation technique:   Thermal
Time resolution:   By end product analysis
Analytical technique:   GC-MS
Comments:   In conjunction with postshock product analyses, a network analysis based on a detailed chemical kinetic combustion model were applied. Polynomial chaos expansion techniques and Monte Carlo methods were used to analyze the data and assess uncertainties. The uncertainty in the preexponential factor is expressed as follows: A = 100.86 ± 0.16 cm3 mol-1 s-1. All uncertainties are 2σ.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
859 8.41E-15
875 9.47E-15
900 1.13E-14
925 1.35E-14
950 1.59E-14
975 1.87E-14
1000 2.18E-14
1025 2.52E-14
1050 2.91E-14
1075 3.35E-14
1100 3.83E-14
1125 4.36E-14
1136 4.61E-14