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. 2017 Dec 15;147(23):234101. doi: 10.1063/1.5002773

Algorithm 2.

Identifying microscale particles.

1. Identify all bimolecular reactions for which W > ϵ, for some sufficiently small ϵ, where W is the relative error in the mesoscopic mean binding time, as defined in (41).
2. For each such reaction, determine if the product originates from a dissociation reaction. If it does, the dissociating molecule should be simulated on the microscopic scale.
(a) If the two reactants are produced by a dissociating molecule we are done. The product of the association reaction then originates from a dissociation [an example of this is (60)].
(b) If they are not, find all sequences of reactions producing reactant 1 of the association reaction and all sequences of reactions producing reactant 2.
(c) For each sequence producing reactant 1, and starting with a dissociation, search for a sequence produc ing reactant 2 that starts with the same dissociation. If we find two such sequences, then the initially dissociating molecule will be simulated on the microscopic scale.