Mesoscale modeling of polymer bigels using Janus particles

Polymeric gels composed of chemical-distinct networks may have unique mechanical properties and potential applications in various areas. Nanocomposites of polymer and colloidal particles also draw great attention due to their enhanced strength, stimuli responsiveness, and rheology. To guide the rational design for a bigel contains hydrophilic and hydrophobic networks with predictive properties, we utilize dissipative particle dynamics (DPD) to simulate a model system that incorporate chemistry, physical absorption, and material characterization. To enable the coexistence of hydrophilic and hydrophobic networks, we use Janus particle with corresponding surface chemistries to attract different polymers. A bell model is used to simulate the reversible physical absorption and desorption. Our results show that a bigel is formed when the hybrid polymers are integrated with a high concentration of Janus particles. The bigel exhibits increased Young’s modulus and shear thinning behavior. More importantly, the bigel recovers to a homogenous network in a short time after deformation. This integrated approach provides a general path towards functional network materials with enhanced mechanical properties and potential applications in drug delivery and wound dressing.