Coupled matrix kinetic Monte Carlo simulations applied for advanced understanding of polymer grafting kinetics
Freddy L. Figueira, Yi‐Yang Wu, Yin‐Ning Zhou, Zheng‐Hong Luo, Paul Van Steenberge, Dagmar D’hooge
Abstract
An innovative coupled matrix-based Monte Carlo (CMMC) concept has been applied to successfully assess the detailed description of the molecular build-up of linear and non-linear chains in the free-radical induced grafting of linear precursors chains.
Topics & Concepts
Monte Carlo methodLinear polymerKinetic Monte CarloGraftingMatrix (chemical analysis)Statistical physicsPolymerDynamic Monte Carlo methodKinetic energyKineticsMaterials scienceChemistryPhysicsMathematicsClassical mechanicsOrganic chemistryStatisticsComposite materialFuel Cells and Related MaterialsAdvanced Polymer Synthesis and CharacterizationPolymer Surface Interaction Studies