Premium
Low‐Energy, low‐temperature mass spectra. 14 —A simple model for the rate coefficient
Author(s) -
Maccoll A.
Publication year - 1991
Publication title -
organic mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 0030-493X
DOI - 10.1002/oms.1210260410
Subject(s) - kinetic energy , mass spectrum , quantum , fragmentation (computing) , computation , thermal , spectral line , energy spectrum , simple (philosophy) , physics , statistical physics , range (aeronautics) , computational physics , thermodynamics , quantum mechanics , mass spectrometry , materials science , mathematics , philosophy , epistemology , algorithm , computer science , operating system , composite material
The Kassel quantum model for the unimolecular rate coefficient is applied to mass spectral fragmentation. The inadequacy of the classical model is emphasized. The kinetic effect, the competitive effect and the thermal effect are discussed. Finally, the mass spectrum is presented as a function of energy. The quantum model, involving summation over states rather than integration over an energy range of the classical model, is ideally suited to simple computation.