This module provides an implementation of the modified strong collsion method
for reducing a master equation model of unimolecular reaction networks to a set
of phenomenological rate coefficients .
An exception raised when the modified strong collsion method is unsuccessful for any reason. Pass a string describing the cause of the exceptional behavior.
Use the modified strong collsion method to reduce the master equation model
to a set of phenomenological rate coefficients and a set of
time-independent population vectors
and
. Inputs are the temperature T in K; pressure P
in Pa; list of energy grains Elist in J/mol; dimensionless densities of
states for each isomer and reactant channel densStates; modified collision
frequencies collFreq for each isomer in s^-1; isomerization, association,
and dissociation microcanonical rate coefficients Kij, Fim, and Gnj,
respectively; energies of the first reactive grain for each isomer Ereac
in J/mol; and the numbers of isomers, reactant channels, and product
channels Nisom, Nreac, and Nprod, respectively.