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

Authors
Citation
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
Citations number
25
Categorie Soggetti
Polymer Sciences
ISSN journal
10221344
Volume
3
Issue
3
Year of publication
1994
Pages
607 - 621
Database
ISI
SICI code
1022-1344(1994)3:3<607:TSONFA>2.0.ZU;2-D
Abstract
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.