Thermal decomposition of methyl phenyl ether in shock waves: The kinetics of phenoxy radical reactions

Chin Yu Lin; Ming-Chang Lin

doi:10.1021/j100275a014

Thermal decomposition of methyl phenyl ether in shock waves: The kinetics of phenoxy radical reactions

Chin Yu Lin, Ming-Chang Lin^*

^*Corresponding author for this work

Department of Applied Chemistry

Research output: Contribution to journal › Article › peer-review

144 Scopus citations

Abstract

The unimolecular decomposition of methyl phenyl ether (anisole) was studied in incident shock waves covering the temperature range from 1000 to 1580 K and the pressure range from 0.4 to 0.9 atm. The CO formed in the reaction, monitored by resonance absorption using a stabilized CW CO laser, could be satisfactorily accounted for by a four-reaction mechanism: C₆H₅OCH₃ → C₆H₅O + CH₃ (1), C₆H₅O → CO + C₅H₅ (2), CH₃ + C₆H₅O → o- and p-CH₃C₆H₄OH (3), and CH₃ + CH₃ → C₂H₆ (4). Kinetic modeling of observed CO production profiles based on the above mechanism with 70 sets of data led to k₁ ≃ (1.2 ± 0.3) × 10¹⁶ exp(-33 100/T) s^-1, k₂ = 10^11.40±0.20 exp(-22 100 ± 450/T) s^-1, and k₃ = (5.5 ± 2.0) × 10¹¹ cm³·mol^-1·s^-1. The relatively low A factor and activation energy measured for the phenoxy radical decomposition reaction support the mechanism A involving a tight intermediate.

Original language	English
Pages (from-to)	425-431
Number of pages	7
Journal	Journal of physical chemistry
Volume	90
Issue number	3
DOIs	https://doi.org/10.1021/j100275a014
State	Published - 1 Jan 1986

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title = "Thermal decomposition of methyl phenyl ether in shock waves: The kinetics of phenoxy radical reactions",

abstract = "The unimolecular decomposition of methyl phenyl ether (anisole) was studied in incident shock waves covering the temperature range from 1000 to 1580 K and the pressure range from 0.4 to 0.9 atm. The CO formed in the reaction, monitored by resonance absorption using a stabilized CW CO laser, could be satisfactorily accounted for by a four-reaction mechanism: C6H5OCH3 → C6H5O + CH3 (1), C6H5O → CO + C5H5 (2), CH3 + C6H5O → o- and p-CH3C6H4OH (3), and CH3 + CH3 → C2H6 (4). Kinetic modeling of observed CO production profiles based on the above mechanism with 70 sets of data led to k1 ≃ (1.2 ± 0.3) × 1016 exp(-33 100/T) s-1, k2 = 1011.40±0.20 exp(-22 100 ± 450/T) s-1, and k3 = (5.5 ± 2.0) × 1011 cm3·mol-1·s-1. The relatively low A factor and activation energy measured for the phenoxy radical decomposition reaction support the mechanism A involving a tight intermediate.",

author = "Lin, {Chin Yu} and Ming-Chang Lin",

year = "1986",

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doi = "10.1021/j100275a014",

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journal = "Journal of physical chemistry",

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T1 - Thermal decomposition of methyl phenyl ether in shock waves

T2 - The kinetics of phenoxy radical reactions

AU - Lin, Chin Yu

AU - Lin, Ming-Chang

PY - 1986/1/1

Y1 - 1986/1/1

N2 - The unimolecular decomposition of methyl phenyl ether (anisole) was studied in incident shock waves covering the temperature range from 1000 to 1580 K and the pressure range from 0.4 to 0.9 atm. The CO formed in the reaction, monitored by resonance absorption using a stabilized CW CO laser, could be satisfactorily accounted for by a four-reaction mechanism: C6H5OCH3 → C6H5O + CH3 (1), C6H5O → CO + C5H5 (2), CH3 + C6H5O → o- and p-CH3C6H4OH (3), and CH3 + CH3 → C2H6 (4). Kinetic modeling of observed CO production profiles based on the above mechanism with 70 sets of data led to k1 ≃ (1.2 ± 0.3) × 1016 exp(-33 100/T) s-1, k2 = 1011.40±0.20 exp(-22 100 ± 450/T) s-1, and k3 = (5.5 ± 2.0) × 1011 cm3·mol-1·s-1. The relatively low A factor and activation energy measured for the phenoxy radical decomposition reaction support the mechanism A involving a tight intermediate.

AB - The unimolecular decomposition of methyl phenyl ether (anisole) was studied in incident shock waves covering the temperature range from 1000 to 1580 K and the pressure range from 0.4 to 0.9 atm. The CO formed in the reaction, monitored by resonance absorption using a stabilized CW CO laser, could be satisfactorily accounted for by a four-reaction mechanism: C6H5OCH3 → C6H5O + CH3 (1), C6H5O → CO + C5H5 (2), CH3 + C6H5O → o- and p-CH3C6H4OH (3), and CH3 + CH3 → C2H6 (4). Kinetic modeling of observed CO production profiles based on the above mechanism with 70 sets of data led to k1 ≃ (1.2 ± 0.3) × 1016 exp(-33 100/T) s-1, k2 = 1011.40±0.20 exp(-22 100 ± 450/T) s-1, and k3 = (5.5 ± 2.0) × 1011 cm3·mol-1·s-1. The relatively low A factor and activation energy measured for the phenoxy radical decomposition reaction support the mechanism A involving a tight intermediate.

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DO - 10.1021/j100275a014

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SN - 0022-3654

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JO - Journal of physical chemistry

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Thermal decomposition of methyl phenyl ether in shock waves: The kinetics of phenoxy radical reactions

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