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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 + ·CH3CH4 + iso-C4H9
Reaction order:   2
Reference reaction:   iso-C4H10 + ·CH3CH4 + tert-C4H9
Reference reaction order:   2
Temperature:   290 - 1327 K
Pressure:  1.40 - 3.60 bar
Rate expression:   3.6x10-1(T/298 K)0.19 e-12114 [±4714 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:   Gas chromatography
Comments:   The uncertainty in the preexponential factor is expressed as follows: A = 10-0.912 ± 0.268. Literature data were used for optimization of the rate constant expressions and the temperature range of appliocability was extended.

View full bibliographic record.


Rate constant values calculated from the Arrhenius expression:

T (K)k(T) []
290 2.36E-3
300 2.80E-3
400 9.97E-3
500 2.16E-2
600 3.63E-2
700 5.28E-2
800 7.03E-2
900 8.80E-2
1000 1.06E-1
1100 1.23E-1
1200 1.39E-1
1300 1.55E-1
1327 1.60E-1