MODELS FOR THE ANALYSIS OF RATE DATA FOR RADICAL DECOMPOSITION AND MULTICHANNEL RADICAL-RADICAL REACTIONS

Authors
PILLING MJ GANG J ROBERTSON SH ZENG G
Citation
Mj. Pilling et al., MODELS FOR THE ANALYSIS OF RATE DATA FOR RADICAL DECOMPOSITION AND MULTICHANNEL RADICAL-RADICAL REACTIONS, Berichte der Bunsengesellschaft fur Physikalische Chemie, 101(3), 1997, pp. 524-532
Citations number
33
Categorie Soggetti
Chemistry Physical
Journal title
Berichte der Bunsengesellschaft fur Physikalische Chemie
ISSN journal
00059021 → ACNP
Volume
101
Issue
3
Year of publication
1997
Pages
524 - 532
Database
ISI
SICI code
0005-9021(1997)101:3<524:MFTAOR>2.0.ZU;2-A
Abstract
Two models are described for use in the analysis of experimental rate data for dissociation and association reactions. The first is a method for calculating partition functions and densities of states for molec ules and radicals with asymmetric internal rotors. Its application to calculation of the heat capacity of butane and to analysis of pressure -dependent rate data for the dissociation of 2-C4H9 are described. The second technique is the use of the master equation to analyse rate da ta for multichannel radical-radical reactions. It is applied to the CH 3 + OH reaction.