| Progress in reaction mechanisms and reactor technologies for thermochemical recycling of poly (methyl methacrylate) EKC Moens, K De Smit, YW Marien, AD Trigilio, PHM Van Steenberge, ... Polymers 12 (8), 1667, 2020 | 84 | 2020 |
| Gillespie-driven kinetic Monte Carlo algorithms to model events for bulk or solution (bio) chemical systems containing elemental and distributed species AD Trigilio, YW Marien, PHM Van Steenberge, DR D’hooge Industrial & Engineering Chemistry Research 59 (41), 18357-18386, 2020 | 66 | 2020 |
| Kinetic Monte Carlo modeling extracts information on chain initiation and termination from complete PLP-SEC traces YW Marien, PHM Van Steenberge, C Barner-Kowollik, MF Reyniers, ... Macromolecules 50 (4), 1371-1385, 2017 | 61 | 2017 |
| Connecting polymer synthesis and chemical recycling on a chain-by-chain basis: a unified matrix-based kinetic Monte Carlo strategy K De Smit, YW Marien, KM Van Geem, PHM Van Steenberge, ... Reaction Chemistry & Engineering 5 (10), 1909-1928, 2020 | 57 | 2020 |
| From n-butyl acrylate Arrhenius parameters for backbiting and tertiary propagation to β-scission via stepwise pulsed laser polymerization AB Vir, YW Marien, PHM Van Steenberge, C Barner-Kowollik, ... Polymer Chemistry 10 (30), 4116-4125, 2019 | 49 | 2019 |
| Particle by particle kinetic monte carlo tracking of reaction and mass transfer events in miniemulsion free radical polymerization YW Marien, PHM Van Steenberge, D R. D ‘hooge, GB Marin Macromolecules 52 (4), 1408-1423, 2019 | 47 | 2019 |
| An alternative method to estimate the bulk backbiting rate coefficient in acrylate radical polymerization YW Marien, PHM Van Steenberge, KB Kockler, C Barner-Kowollik, ... Polymer Chemistry 7 (42), 6521-6528, 2016 | 43 | 2016 |
| Benchmarking stochastic and deterministic kinetic modeling of bulk and solution radical polymerization processes by including six types of factors two L De Keer, FL Figueira, YW Marien, K De Smit, M Edeleva, ... Macromolecular Theory and Simulations 29 (6), 2000065, 2020 | 37 | 2020 |
| Ab initio based kinetic Monte Carlo analysis to unravel the propagation kinetics in vinyl acetate pulsed laser polymerization GB Desmet, YW Marien, PHM Van Steenberge, DR D'hooge, ... Polymer Chemistry 8 (46), 7143-7150, 2017 | 36 | 2017 |
| Translating simulated chain length and molar mass distributions in chain‐growth polymerization for experimental comparison and mechanistic insight YW Marien, M Edeleva, FL Figueira, FJ Arraez, PHM Van Steenberge, ... Macromolecular Theory and Simulations 30 (3), 2100008, 2021 | 32 | 2021 |
| Impact of side reactions on molar mass distribution, unsaturation level and branching density in solution free radical polymerization of n-butyl acrylate under well-defined lab … M Edeleva, YW Marien, PHM Van Steenberge, DR D'hooge Polymer Chemistry 12 (14), 2095-2114, 2021 | 29 | 2021 |
| Access to the β-scission rate coefficient in acrylate radical polymerization by careful scanning of pulse laser frequencies at elevated temperature AB Vir, YW Marien, PHM Van Steenberge, C Barner-Kowollik, ... Reaction Chemistry & Engineering 3 (5), 807-815, 2018 | 28 | 2018 |
| Jacket temperature regulation allowing well-defined non-adiabatic lab-scale solution free radical polymerization of acrylates M Edeleva, YW Marien, PHM Van Steenberge, DR D'hooge Reaction Chemistry & Engineering 6 (6), 1053-1069, 2021 | 26 | 2021 |
| Roadmap for monomer conversion and chain length-dependent termination reactivity algorithms in kinetic Monte Carlo modeling of bulk radical polymerization K De Smit, YW Marien, M Edeleva, PHM Van Steenberge, DR D’hooge Industrial & Engineering Chemistry Research 59 (52), 22422-22439, 2020 | 23 | 2020 |
| Estimating the photodissociation quantum yield from PLP-SEC peak heights YW Marien, PHM Van Steenberge, KB Kockler, C Barner-Kowollik, ... Polymer Chemistry 8 (20), 3124-3128, 2017 | 23 | 2017 |
| Multi-scale reactive extrusion modelling approaches to design polymer synthesis, modification and mechanical recycling K De Smit, T Wieme, YW Marien, PHM Van Steenberge, DR D'hooge, ... Reaction Chemistry & Engineering 7 (2), 245-263, 2022 | 22 | 2022 |
| Coupled stochastic simulation of the chain length and particle size distribution in miniemulsion radical copolymerization of styrene and N-vinylcaprolactam YW Marien, PHM Van Steenberge, A Pich, DR D'hooge Reaction Chemistry & Engineering 4 (11), 1935-1947, 2019 | 17 | 2019 |
| Optimal search methods for selecting distributed species in Gillespie-based kinetic Monte Carlo AD Trigilio, YW Marien, M Edeleva, PHM Van Steenberge, DR D'hooge Computers & Chemical Engineering 158, 107580, 2022 | 15 | 2022 |
| Molecularly imprinted polymers with enhanced selectivity based on 4-(aminomethyl) pyridine-functionalized poly (2-oxazoline) s for detecting hazardous herbicide contaminants M Cegłowski, YW Marien, S Smeets, L De Smet, DR D’hooge, ... Chemistry of Materials 34 (1), 84-96, 2021 | 13 | 2021 |
| Molecular scale-driven upgrading of extrusion technology for sustainable polymer processing and recycling M Edeleva, K De Smit, S Debrie, A Verberckmoes, YW Marien, ... Current Opinion in Green and Sustainable Chemistry 43, 100848, 2023 | 11 | 2023 |
