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Claudette M Rosado-Reyes¹, Jeffrey A Manion, Wing Tsang

¹National Institute of Standards and Technology, 100 Bureau Drive, Gaithersburg, Maryland 20899, United States.

The Journal of Physical Chemistry. A

|March 17, 2011

Summary

This summary is machine-generated.

This study quantifies reaction rates for hydrogen atoms with propene, detailing product formation from addition and abstraction pathways. Key findings include specific rate constants for methyl displacement and allylic hydrogen abstraction.

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Area of Science:

Chemical Kinetics
Combustion Chemistry
Reaction Dynamics

Background:

Understanding the reaction of hydrogen atoms with unsaturated hydrocarbons is crucial for combustion and atmospheric chemistry.
Propene is a key component in various fuel mixtures and industrial processes.

Purpose of the Study:

To experimentally determine the rate constants for the reaction of hydrogen atoms with propene.
To identify and quantify stable products resulting from H atom addition and abstraction pathways.
To compare the reactivity of propene with related compounds like propyne.

Main Methods:

Reactions were studied in a heated single-pulsed shock tube.
Temperatures ranged from 902 to 1200 K and pressures from 1.5-3.4 bar.
Product analysis was performed using gas chromatography/flame ionization/mass spectrometry.

Main Results:

The rate constant for H addition with methyl displacement was determined as k(H + propene → ethylene + CH(3)) = 4.8 × 10^13 exp(-2081/T) cm^3/(mol s).
The rate constant for allylic hydrogen abstraction was found to be k(H + propene → allyl radical + H(2)) = 6.4 × 10^13 exp(-4168/T) cm^3/(mol s).
The methyl displacement rate constant for propene was found to be slightly larger than for propyne near 1000 K.

Conclusions:

The study provides critical kinetic data for the H + propene reaction system.
The results contribute to a better understanding of hydrocarbon combustion mechanisms.
Experimental data were compared with existing literature for validation and further insights.