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Author(s):   Mertens, L.A.; Awan, I.A.; Sheen, D.A.; Manion, J.A.
Title:   Evaluated Site-Specific Rate Constants for Reaction of Isobutane with H and CH3: Shock Tube Experiments Combined with Bayesian Model Optimization
Journal:   J. Phys. Chem. A
Volume:   122
Page(s):   9518 - 9541
Year:   2018
Reference type:   Journal article
Squib:   2018MER/AWA9518-9541

Reaction:   iso-C4H10 + H2 + iso-C4H9
Reaction order:   2
Temperature:   870 - 1130 K
Pressure:  1.40 - 3.60 bar
Rate expression:   4.73x10-12 [cm3/molecule s] (T/298 K)2.54 e-28186 [J/mole]/RT
Uncertainty:   1.5499999523162842
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:   Gas chromatography
Comments:   The quoted uncertainty factor is for the preexponential factor only. A separate uncertainty factor for the activation energy is given in the article. Literature data were used for optimization of the rate constant expressions.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
870 1.46E-12
875 1.51E-12
900 1.81E-12
925 2.15E-12
950 2.53E-12
975 2.97E-12
1000 3.45E-12
1025 3.99E-12
1050 4.59E-12
1075 5.25E-12
1100 5.98E-12
1125 6.78E-12
1130 6.95E-12