The relationship between recombination, chemical activation and unimolecular dissociation rate coefficients

Smith, Sean C., McEwan, Murray J. and Gilbert, Robert G. (1989) The relationship between recombination, chemical activation and unimolecular dissociation rate coefficients. Journal of Chemical Physics, 90 8: 4265-4273. doi:10.1063/1.455783

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Author Smith, Sean C.
McEwan, Murray J.
Gilbert, Robert G.
Title The relationship between recombination, chemical activation and unimolecular dissociation rate coefficients
Journal name Journal of Chemical Physics   Check publisher's open access policy
ISSN 0021-9606
Publication date 1989-04
Sub-type Article (original research)
DOI 10.1063/1.455783
Open Access Status File (Publisher version)
Volume 90
Issue 8
Start page 4265
End page 4273
Total pages 9
Place of publication College Park, MD, United States
Publisher American Institute of Physics
Language eng
Formatted abstract
A new solution to the master equation relating the rate coefficients for unimolecular, recombination (association) and chemical activation reactions, incorporating weak collision effects, is presented. The solution establishes conditions for the validity of the commonly used procedure of relating the recombination rate coefficient, throughout the falloff regime, to the reverse single-channel unimolecular rate coefficient via the equilibrium constant. In addition, a relationship between the rate coefficient for stabilization in a chemical activation reaction and the reverse multichannel unimolecular dissociation rate coefficient is derived. This result, in conjunction with recently developed methods for fully incorporating angular momentum conservation into the solution of the master equation for unimolecular dissociation, enables both angular momentum and weak collision effects to be accurately incorporated into the solution of the master equation for chemical activation reactions in the falloff regime. Application of this method to a typical ion/molecule chemical activation reaction, that of CH3+ with NH 3, illustrates the importance of weak collision and angular momentum effects in this system.
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Non-UQ

Document type: Journal Article
Sub-type: Article (original research)
Collection: Centre for Nutrition and Food Sciences Publications
 
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Created: Mon, 07 Mar 2011, 15:57:53 EST