Kinetics Database Logo

Kinetics Database Resources

Simple Reaction Search

Search Reaction Database

Search Bibliographic Database

Set Unit Preferences


Rate Our Products and Services


Other Databases

NIST Standard Reference Data Program

NIST Chemistry Web Book

NDRL-NIST Solution Kinetics Database

NIST Computational Chemistry Comparison and Benchmark Database

The NIST Reference on Constants, Units, and Uncertainty


Administrative Links

NIST home page

MML home page

Chemical and Biochemical Reference Data Division

MML home page

Chemical and Biochemical Reference Data Division

  NIST Logo Home
©NIST, 2013
Accessibility information
Author(s):   Ellis, C.; Scott, M.S.; Walker, R.W.
Title:   Addition of toluene and ethylbenzene to mixture of H2 and O2 at 772 K: Part 2: Formation of products and determination of kinetic data for H plus additive and for other elementary reactions involved
Journal:   Combust. Flame
Volume:   132
Page(s):   291 - 304
Year:   2003
Reference type:   Journal article
Squib:   2003ELL/SCO291-304

Reaction:   Toluene + → C6H4CH3 + H2
Reaction order:   2
Temperature:   773 K
Pressure:  0.67 bar
Rate expression:   3.16x10-14 [cm3/molecule s]
Category:  Theory
Data type:   Estimated: thermochemical, kinetic, or other
Pressure dependence:   None reported
Experimental procedure:   Static or low flow - Data taken vs time
Excitation technique:   Thermal
Time resolution:   By end product analysis
Analytical technique:   Gas chromatography
Comments:   The authors carried out a detailed analysis of products obtained from the addition of small amounts of toluene or ethylbenzene to N2 mixtures containing H2 and O2 at 773 K and 500 Torr total pressure. A detailed kinetic model with approximately 50 reactions was constructed to explain the results. Kinetics were obtained using this mechanism and the observed product formation rates. Typically, relative rates were derived and converted to absolute rates using data from the literature.

View full bibliographic record.