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Extension of a Kinetic-Theory Approach for Computing Chemical-Reaction Rates to Reactions with Charged Particles
Author(s) -
Derek S. Liechty,
Mark Lewis
Publication year - 2011
Publication title -
aip conference proceedings
Language(s) - English
Resource type - Conference proceedings
SCImago Journal Rank - 0.177
H-Index - 75
eISSN - 1551-7616
pISSN - 0094-243X
DOI - 10.1063/1.3562813
Subject(s) - exothermic reaction , endothermic process , arrhenius equation , chemical reaction , non equilibrium thermodynamics , ionization , thermodynamics , reaction rate , chemistry , chemical kinetics , kinetic energy , chemical physics , chemical equilibrium , reversible reaction , activation energy , computational chemistry , kinetics , ion , physics , adsorption , organic chemistry , catalysis , classical mechanics
Recently introduced molecular‐level chemistry models that predict equilibrium and nonequilibrium reaction rates using only kinetic theory and fundamental molecular properties (i.e., no macroscopic reaction rate information) are extended to include reactions involving charged particles and electronic energy levels. The proposed extensions include ionization reactions, exothermic associative ionization reactions, endothermic and exothermic charge exchange reactions, and other exchange reactions involving ionized species. The extensions are shown to agree favorably with the measured Arrhenius rates for near‐equilibrium conditions.

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