THE STUDY OF NETWORK FORMATION AS A CLUSTER-CLUSTER DIFFUSION-LIMITEDAGGREGATION PROCESS - MODELING OF THE CURING OF AN EPOXY-RESIN USING THE MONTE-CARLO METHOD
Pa. Netz et D. Samios, THE STUDY OF NETWORK FORMATION AS A CLUSTER-CLUSTER DIFFUSION-LIMITEDAGGREGATION PROCESS - MODELING OF THE CURING OF AN EPOXY-RESIN USING THE MONTE-CARLO METHOD, Macromolecular theory and simulations, 3(3), 1994, pp. 607-621
The study of network formation during the curing of an epoxy-resin wit
h anhydride and tertiary amine has been carried out by the Monte Carlo
method. Both dynamical and structural properties are studied. The mod
el resembles the well known cluster-cluster aggregation: the reaction
is modelled as a ''geometrical'' phenomenon and neglects attractive an
d repulsive energies except for an excluded volume condition. A reacti
on occurs always when two active sites are in the vicinity to each oth
er, meaning that the ''chemical'' processes are taken to be much faste
r than diffusion (as in diffusion-limited aggregation). Results are pr
esented of two-dimensional square lattice simulations with periodic bo
undary conditions and are discussed with respect to the proposed mecha
nism of the curing reaction and to the assumptions of the diffusion-li
mited nature of the processes. The scope and limitations of such two-d
imensional simulations are discussed.