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Author(s):   Awan, I.A.; Burgess, D.R.; Manion, J.A.;
Title:   Pressure Dependence and Branching Ratios in the Decomposition of 1-Pentyl Radicals: Shock Tube Experiments and Master Equation Modeling
Journal:   J. Phys. Chem. A
Volume:   116
Page(s):   2895 - 2910
Year:   2012
Reference type:   Journal article
Squib:   2012AWA/BUR2895-2910

Reaction:   1-C5H11C2H4 + 1-C3H7
Reaction order:   1
Temperature:   400 - 1900 K
Rate expression:   2.0x1013 [s-1] (T/298 K)0.35 e-120493 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
Comments:   A kinetic model using an RRKM / master equation analysis has been developed based on the analysis of the experimental data from this work and earlier literature sources. High pressure limit rate expressions have been deduced. The model was used to extrapolate the data to temperatures between 700 and 1900 K and pressures of 10-100000 kPa. The falloff deviations from the high pressure limit behavior are presented in tabular format.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
400 4.08E-3
500 6.19E0
600 8.26E2
700 2.75E4
800 3.83E5
900 2.99E6
1000 1.55E7
1100 5.98E7
1200 1.85E8
1300 4.81E8
1400 1.09E9
1500 2.24E9
1600 4.18E9
1700 7.28E9
1800 1.19E10
1900 1.86E10