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Title: Experimental and Detailed Kinetic Modeling Study of Cyclopentanone Oxidation in a Jet-Stirred Reactor at 1 and 10 atm
Journal: Energy Fuels
Volume: 31
Page(s): 2144 - 2155
Year: 2017
Reference type: Journal article
Squib: 2017THI/TOG2144-2155
Reaction:
Cyclopentanone + ·CH3 → cyclopentanon-3-yl + CH4
Temperature:
600 - 2000
K
Rate expression:
7.3x10-17(T/298 K)5.75 e-27229 [J/mole]/RT
Category: Uncategorized
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 transition state theory with tunneling correction.
View full bibliographic record.
Rate constant values calculated from the Arrhenius expression:
| T (K) | k(T) [] |
|---|---|
| 600 | 1.74E-17 |
| 700 | 9.18E-17 |
| 800 | 3.55E-16 |
| 900 | 1.10E-15 |
| 1000 | 2.90E-15 |
| 1100 | 6.75E-15 |
| 1200 | 1.43E-14 |
| 1300 | 2.79E-14 |
| 1400 | 5.11E-14 |
| 1500 | 8.88E-14 |
| 1600 | 1.47E-13 |
| 1700 | 2.36E-13 |
| 1800 | 3.64E-13 |
| 1900 | 5.47E-13 |
| 2000 | 8.00E-13 |