NIST Chemical Kinetics Database

Author(s):   Tranter, R.S.; Klippenstein, S.J.; Harding, L.B.; Giri, B.R.; Yang, X.L.; Kiefer, J.H.
Title:   Experimental and Theoretical Investigation of the Self-Reaction of Phenyl Radicals
Journal:   J. Phys. Chem. A
Volume:   114
Page(s):   8240 - 8261
Year:   2010
Reference type:   Journal article
Squib:   2010TRA/KLI8240-8261

Reaction:   Phenyl + Phenyl → Biphenyl
Reaction order:   2
Temperature:   1246 - 1853 K
Pressure:  2.93E-2 - 0.16 bar
Rate expression:   5.96x10^-9 [cm³/molecule s] (T/298 K)^-2.81 e^{-20038 [J/mole]/RT}
Category: Experiment
Data type:   Derived from fitting to a complex mechanism
Pressure dependence:   Rate constant is pressure dependent
Experimental procedure:   Shock tube
Excitation technique:   Thermal
Time resolution:   In real time
Analytical technique:   Laser schlieren
Comments:   Theory-assisted fitting of the experimental laser schlieren profiles.

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Rate constant values calculated from the Arrhenius expression:

T (K)	k(T) [cm³/molecule s]
1246	1.55E-11
1250	1.54E-11
1300	1.49E-11
1350	1.43E-11
1400	1.38E-11
1450	1.33E-11
1500	1.28E-11
1550	1.22E-11
1600	1.18E-11
1650	1.13E-11
1700	1.08E-11
1750	1.04E-11
1800	9.98E-12
1850	9.59E-12
1853	9.56E-12