RRKM theory

RRKM theory

Development of Microcanonical Statistical Rate Theory for Unimolecular Reactions

Published in Takayuki Fueno, The Transition State, 2019

For unimolecular reactions, Rice, Ramsperger,7) Kassel,8) and Marcus 9) put forward successively several microcanonical statistical theories, which are now unified and called RRKM theory. In the original RRKM theory, the microcanonical rate constant for an ensemble of reactant molecules each possessing a total energy of E* is expressed as k(E*)=W(E+)hN(E*),

Growth of Polycyclic Aromatic Hydrocarbons by C₂H₂ Mediated by Five-membered Rings: Acenaphthylene Conversion to Phenanthrene

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Journal Information

Published in Combustion Science and Technology, 2023

Arwa W. Fikri, Abhijeet Raj

For reaction rate constants, transition state theory was used for the bimolecular reactions and RRKM theory was used for unimolecular reactions, which are implemented in the KistHelP program, developed by Canneaux et al. (Canneaux, Bohr, Henon 2014). In transition state theory, the rate constant, kTST(T) is expressed as:

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