Comparative study of generation frameworks of polymer networks for bio-sourced epoxy resins
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The aim of this study is to generate polymer network topology for bio-sourced epoxy resins. We aim to compare two primary approaches. The first approach involves simulating the curing process through a full atom simulation using the LAMMPS software, in conjunction with the Polymatic framework. A second approach, based on Monte Carlo simulations, capable of generating larger systems, will also be explored. In this Monte Carlo approach, individual monomers are represented by coarse-grained atoms randomly distributed on a lattice, and chemical bonds are formed through a stochastic process. Both strategies will be subjected to a statistical study across various formulations for comparison.
