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Angular momentum conservation in unimolecular and recombination reactions
Author(s) -
Smith Sean C.,
Gilbert Robert G.
Publication year - 1988
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.550200405
Subject(s) - angular momentum , chemistry , recombination , decomposition , computation , master equation , conservation law , statistical physics , classical mechanics , physics , quantum mechanics , mathematics , quantum , biochemistry , organic chemistry , algorithm , gene
It is shown that the master equation describing fall‐off effects in unimolecular and recombination reactions, with angular momentum ( J ) conservation taken into account, can be solved exactly if the assumption is made that the probability of collisional energy transfer in J is independent of initial state; this assumption is shown to be physically acceptable (from general conservation considerations and from trajectory calculations) for typical neutral radical recombination and decomposition reactions. This leads to a J ‐averaged master equation which can be readily solved by standard means. Illustrative computations using this treatment are presented.