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The study of network formation as a cluster-cluster diffusion-limited aggregation process: Modelling of the curing of an epoxy-resin using the Monte Carlo method
Authors:Paulo A Netz  Dimitrios Samios
Abstract:The study of network formation during the curing of an epoxy-resin with anhydride and tertiary amine has been carried out by the Monte Carlo method. Both dynamical and structural properties are studied. The model resembles the well known cluster-cluster aggregation: the reaction is modelled as a “geometrical” phenomenon and neglects attractive and repulsive energies except for an excluded volume condition. A reaction occurs always when two active sites are in the vicinity to each other, meaning that the “chemical” processes are taken to be much faster than diffusion (as in diffusion-limited aggregation). Results are presented of two-dimensional square lattice simulations with periodic boundary conditions and are discussed with respect to the proposed mechanism of the curing reaction and to the assumptions of the diffusion-limited nature of the processes. The scope and limitations of such two-dimensional simulations are discussed.
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