Kyann De Smit

Connecting polymer synthesis and chemical recycling on a chain-by-chain basis: a unified matrix-based kinetic Monte Carlo strategy

Kyann De Smit, Yoshi W. Marien, Kevin M. Van Geem et al. · Reaction Chemistry & Engineering · 2020 · 68 citations · Full text

Chemical Kinetics, Engineering, Molecular Level +18

Benchmarking Stochastic and Deterministic Kinetic Modeling of Bulk and Solution Radical Polymerization Processes by Including Six Types of Factors Two

Lies De Keer, Freddy L. Figueira, Yoshi W. Marien et al. · Macromolecular Theory and Simulations · 2020 · 41 citations

Engineering, Monte Carlo Methods, Computational Chemistry +26

Multi-scale reactive extrusion modelling approaches to design polymer synthesis, modification and mechanical recycling

Kyann De Smit, Tom Wieme, Yoshi W. Marien et al. · Reaction Chemistry & Engineering · 2022 · 38 citations · Full text

Engineering, Mechanical Engineering, Molding (Process) +19

Roadmap for Monomer Conversion and Chain Length-Dependent Termination Reactivity Algorithms in Kinetic Monte Carlo Modeling of Bulk Radical Polymerization

Kyann De Smit, Yoshi W. Marien, Mariya Edeleva et al. · Industrial & Engineering Chemistry Research · 2020 · 28 citations

Chemical Kinetics, Radical Polymerization, Engineering +18

Molecular scale-driven upgrading of extrusion technology for sustainable polymer processing and recycling

Mariya Edeleva, Kyann De Smit, Simon Debrie et al. · Current Opinion in Green and Sustainable Chemistry · 2023 · 20 citations · Full text

Materials Science, Engineering, Polymer Technology +12