OH-initiated oxidation of toluene. 2. Master equation simulation of toluene oxide isomerisation
-
Altmetric Citations
Frankcombe, Terry; Smith, Sean C
Description
In this work we continue our investigation of the toluene-OH-O2 system. We describe master equation modeling of the isomerization of toluene oxide, focusing on the formation of the cresols. A 15 isomer model is used. Simulations of both thermally activated processes and photolysis processes are described. In accord with experiment, it is found that photolysis with a high-energy light source should be expected to give a high yield of the thermal distribution of cresol products (dominated by the...[Show more]
Collections | ANU Research Publications |
---|---|
Date published: | 2007 |
Type: | Journal article |
URI: | http://hdl.handle.net/1885/56559 |
Source: | Journal of Physical Chemistry A |
DOI: | 10.1021/jp067113a |
Download
File | Description | Size | Format | Image |
---|---|---|---|---|
01_Frankcombe_OH-initiated_oxidation_of_2007.pdf | 180.1 kB | Adobe PDF | Request a copy |
Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.
Updated: 19 May 2020/ Responsible Officer: University Librarian/ Page Contact: Library Systems & Web Coordinator