Open AccessStochastic Model of Unimolecular Reactions and the RRKM Theory
Author(s) -
Shan Lin,
K. H. Lau,
William Daniel Loty Richardson,
L. Volk,
Henry Eyring
Publication year - 1972
Publication title -
proceedings of the national academy of sciences of the united states of america
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.011
H-Index - 771
eISSN - 1091-6490
pISSN - 0027-8424
DOI - 10.1073/pnas.69.10.2778
Subject(s) - statistical physics , rrkm theory , molecule , chemistry , computational chemistry , physics , kinetics , reaction rate constant , classical mechanics , quantum mechanics
A stochastic model of unimolecular reactions has been adopted for investigation of the validity and limitation of the RRKM theory. The error caused by the steady-state approximation for distribution of energized molecules is small, while the assumption of the internal energy equilibration of energized molecules might cause serious errors for reactions of low activation energies.