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Title: Rate Constants for the Thermal Decomposition of Ethanol and Its Bimolecular Reactions with OH and D: Reflected Shock Tube and Theoretical Studies
Journal: J. Phys. Chem. A
Volume: 114
Page(s): 9425 - 9439
Year: 2010
Reference type: Journal article
Squib: 2010SIV/SU9425-9439
Reaction:
C2H5OH → ·CH3 + (·)CH2OH
Reaction order:
1
Temperature:
800 - 2000
K
Pressure: 1.01E-3 - 101 bar
Rate expression:
no rate data available
Category: Theory
Data type:
Transition state theory
Pressure dependence:
Rate constant is pressure dependent
Comments:
Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated for wide ranges of temperatures and pressures using transition state theory, RRKM, and master equation. Modified Arrhenius expressions for individual pressures are presented in a tabular format.
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