Kinetic Monte Carlo residence time distributions and kinetics in view of extrusion-based polymer modification and recycling
Kyann De Smit, Mariya Edeleva, Alessandro D. Trigilio, Yoshi W. Marien, Paul Van Steenberge, Dagmar D’hooge
Abstract
Coupled matrix-based kinetic Monte Carlo (CMMC) simulations are applied to obtain the residence time distribution (RTD) and molecular information ( e.g. chain length distribution) per RTD slice for extrusion-based polymer modification and recycling.
Topics & Concepts
Residence time distributionMonte Carlo methodExtrusionResidence time (fluid dynamics)PolymerKinetic Monte CarloKinetic energyMaterials scienceStatistical physicsThermodynamicsMathematicsPhysicsStatisticsComposite materialEngineeringInclusion (mineral)Geotechnical engineeringQuantum mechanicsPolymer crystallization and propertiesInjection Molding Process and PropertiesAdvanced Polymer Synthesis and Characterization