Stochastic Simulation for Photopolymerization
This software simulates the stochastic growth of a polymer network due to reaction-diffusion. The Bond Fluctuation Model is used to represent the growing polymer network. The Gillespie algorithm is used to simulate the intiation, chain growth, cross-linking, and fluctuation steps.
Documentation file describes the layout of the input file, and a demonstrative example is in the folder Example.
Please cite the following paper if you are using this code:
Sarkar, S., & Lin‐Gibson, S. (2018). Computational Design of Photocured Polymers Using Stochastic Reaction–Diffusion Simulation. Advanced Theory and Simulations, 1(7), 1800028.