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Title: Substituent Effects on the Reaction Rates of Hydrogen Abstraction in the Pyrolysis of Phenethyl Phenyl Ethers
Journal: Energy Fuels
Volume: 24
Page(s): 2857 - 2867
Year: 2010
Reference type: Journal article
Squib: 2010BES/BUC2857-2867
Reaction:
C6H5CH2CH2OC6H3(o-OCH3)2 + Benzyl → C6H5CH(·)CH2OC6H3(o-OCH3)2 + Toluene
Reaction order:
2
Temperature:
580 - 660
K
Rate expression:
8.3x10-8 [cm3/molecule s] e-47279 [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 transition state theory with tunneling correction. The units of the rate constants are not given in the article and are assumed to be cm3 mol-1 s-1.
View full bibliographic record.
Rate constant values calculated from the Arrhenius expression:
| T (K) | k(T) [cm3/molecule s] |
|---|---|
| 580 | 4.59E-12 |
| 600 | 6.36E-12 |
| 625 | 9.29E-12 |
| 650 | 1.32E-11 |
| 660 | 1.50E-11 |