Monte-Carlo simulation of transient gel formation and break-up during reversible aggregation

Abstract:

Monte-Carlo simulations of reversible aggregation on a cubic lattice were done by introducing a finite probability (P) of nearest neighbours to form a bond. Depending on the volume fraction of occupied sites (φ) and P we observed different phenomena by monitoring as a function of time the space filling and the distribution of the aggregates and the gel fraction. At smaller values of P the system develops into an equilibrium distribution of aggregates of which the average size increases with increasing φ until above a critical value the system percolates. At larger values of P the system phase separates into two phases with different densities. Above a critical value of φ the system percolates during a finite time. The life time of the gel and the maximum gel fraction were studied as a function of P.