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. |