publication . Article . 2007

Improved wood–kirkwood detonation chemical kinetics

Kurt R. Glaesemann; Laurence E. Fried;
Open Access
  • Published: 11 May 2007 Journal: Theoretical Chemistry Accounts, volume 120, pages 37-43 (issn: 1432-881X, eissn: 1432-2234, Copyright policy)
  • Publisher: Springer Science and Business Media LLC
We report an improved implementation of the Wood–Kirkwood kinetic detonation model based on a multi-species Buckingham exponential-6 equation of state (EOS) and multiple reaction rate laws. The exp-6 EOS allows for treatment of chemical systems at a statistical mechanics level, instead of an atomistic level. Finite global rate laws are used for the slowest chemical reactions. Other reactions are given infinite rates and are kept in constant thermodynamic equilibrium. The global rates do not necessarily correspond to a specific physical process, but rather to the sum total of slow physical processes. We model ideal and non-ideal composite energetic materials. We ...
Persistent Identifiers
free text keywords: Physical and Theoretical Chemistry, Reaction rate, Thermodynamics, Equation of state, Chemistry, Detonation, Detonation velocity, Statistical mechanics, Rate equation, Chemical thermodynamics, Thermodynamic equilibrium
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