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Author(s):   Wang, L.; Zhao, Y.A.; Zhang, J.L.
Title:   Direct dynamics studies for the reactions of CF3CHFCF3 and CF3CF2CHF2 with H atoms
Journal:   J. Fluorine Chem.
Volume:   132
Page(s):   216 - 221
Year:   2011
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2011WAN/ZHA216-221

Reaction:   CF3CHFCF3 + H2 + (CF3)2CF
Reaction order:   2
Temperature:   200 - 2500 K
Rate expression:   1.52x10-14 [cm3/molecule s] (T/298 K)4.29 e-22426 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is pressure independent
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using variational transition state theory with tunneling correction.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
200 3.82E-21
300 1.95E-18
400 6.35E-17
500 6.37E-16
600 3.42E-15
700 1.26E-14
800 3.62E-14
900 8.72E-14
1000 1.85E-13
1100 3.56E-13
1200 6.33E-13
1300 1.06E-12
1400 1.69E-12
1500 2.59E-12
1600 3.82E-12
1700 5.47E-12
1800 7.63E-12
1900 1.04E-11
2000 1.39E-11
2100 1.83E-11
2200 2.37E-11
2300 3.02E-11
2400 3.81E-11
2500 4.75E-11