This module provides an implementation of the chemically-significant eigenvalues
method for reducing a master equation model of unimolecular reaction networks to
a set of phenomenological rate coefficients .
An exception raised when the reservoir state method is unsuccessful for any reason. Pass a string describing the cause of the exceptional behavior.
Use the chemically-significant eigenvalues 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; collision
matrix Mcoll for each isomer; 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.