Molecular simulation of solvent diffusion in polymer solution casting processes

In glassy polymers, at low Cs, solvent diffusion is extremely slow, which may be modeled as random hops on a network. Cs →0 limit: hopping of individual solvent molecules between cavities. Finitely low Cs regime: hopping along tunnels connecting solvent clusters. Eventually the solvent clusters will connect and percolate the domain. Aimless shooting + likelihood maximization: statistically identify the dominant factors in complex transitions.