Patchy particle simulations of transient polymer networks

This chapter explores the use of patchy particle models to study transient polymer networks (TPNs), with an emphasis on vitrimers. Patchy particles, equipped with bond-swapping mechanisms, offer a versatile framework for capturing the dynamic restructuring of these networks. As examples, we show how using coarse-grained approaches such as Monte Carlo simulations and bond-swapping via the three-body repulsion method makes it possible to investigate the thermodynamics, phase behavior, and viscoelastic properties of vitrimer-like systems. We highlight how these models provide insights into TPNs’ unique dynamics and pave the way for designing adaptable materials. As an example, we discuss how the ideas discussed have been used to design and synthesize a vitrimer-like all-DNA gel in the lab.