Precision polymer synthesis by controlled radical polymerization: Fusing the progress from polymer chemistry and reaction engineering
During the first 100 years of polymer science, controlled radical polymerization (also
recommended as reversible deactivation radical polymerization) is undoubtedly a …
recommended as reversible deactivation radical polymerization) is undoubtedly a …
State‐Of‐The‐Art Quantification of Polymer Solution Viscosity for Plastic Waste Recycling
R Kol, T De Somer, DR D'hooge, F Knappich… - …, 2021 - Wiley Online Library
Solvent‐based recycling is a promising approach for closed‐loop recovery of plastic‐
containing waste. It avoids the energy cost to depolymerize the plastic but still allows to …
containing waste. It avoids the energy cost to depolymerize the plastic but still allows to …
Opportunities, challenges, and pitfalls in making, characterizing, and understanding polymer brushes
Polymer brushes have been theoretically described, their behavior under diverse conditions
has been modeled, and their preparation via surface-initiated polymerizations (SIPs) has …
has been modeled, and their preparation via surface-initiated polymerizations (SIPs) has …
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… - Industrial & …, 2020 - ACS Publications
Stochastic modeling techniques have emerged as a powerful tool to study the time evolution
of processes in many research fields including (bio) chemical engineering and biology. One …
of processes in many research fields including (bio) chemical engineering and biology. One …
Coupled matrix kinetic Monte Carlo simulations applied for advanced understanding of polymer grafting kinetics
One of the challenges for modelling of polymerization kinetics is the detailed description of
the molecular build-up of both linear and non-linear chains, specifically those with many …
the molecular build-up of both linear and non-linear chains, specifically those with many …
Playing with process conditions to increase the industrial sustainability of poly (lactic acid)-based materials
K De Smit, YW Marien, PHM Van Steenberge… - Reaction Chemistry & …, 2023 - pubs.rsc.org
Polylactic acid (PLA) is an important polymer for the replacement of oil-based polymers in
the biomedical field as well as for degradable single use polymeric materials. To fully exploit …
the biomedical field as well as for degradable single use polymeric materials. To fully exploit …
[HTML][HTML] Going beyond the Carothers, Flory and Stockmayer equation by including cyclization reactions and mobility constraints
L De Keer, PHM Van Steenberge, MF Reyniers… - Polymers, 2021 - mdpi.com
A challenge in the field of polymer network synthesis by a step-growth mechanism is the
quantification of the relative importance of inter-vs. intramolecular reactions. Here we use a …
quantification of the relative importance of inter-vs. intramolecular reactions. Here we use a …
Crosslinking and gelation of polymer brushes and free polymer chains in a confined space during controlled radical polymerization─ a computer simulation study
P Polanowski, JK Jeszka, K Matyjaszewski - Macromolecules, 2023 - ACS Publications
The confinement effect on crosslinking and gelation during controlled/living
copolymerization of a monovinyl and a divinyl monomer was studied by Monte Carlo …
copolymerization of a monovinyl and a divinyl monomer was studied by Monte Carlo …
Monte Carlo simulation of surface-initiated polymerization: heterogeneous reaction environment
B Yang, S Liu, J Ma, Y Yang, J Li, BP Jiang, S Ji… - …, 2022 - ACS Publications
Computer simulations are widely applied to study surface-initiated polymerization (SIP), but
in many studies, the chains are assumed to grow at the same speed, implying a …
in many studies, the chains are assumed to grow at the same speed, implying a …
Optimal search methods for selecting distributed species in Gillespie-based kinetic Monte Carlo
AD Trigilio, YW Marien, M Edeleva… - Computers & Chemical …, 2022 - Elsevier
Monte Carlo modeling has emerged as a powerful tool to describe system state variations in
many engineering systems. If distributed species are involved, the so-called Gillespie-based …
many engineering systems. If distributed species are involved, the so-called Gillespie-based …