Precision polymer synthesis by controlled radical polymerization: Fusing the progress from polymer chemistry and reaction engineering

YN Zhou, JJ Li, TT Wang, YY Wu, ZH Luo - Progress in Polymer Science, 2022 - Elsevier
During the first 100 years of polymer science, controlled radical polymerization (also
recommended as reversible deactivation radical polymerization) is undoubtedly a …

Rational design of tapered multiblock copolymers for thermoplastic elastomers

M Steube, T Johann, RD Barent, AHE Mueller… - Progress in Polymer …, 2022 - Elsevier
Thermoplastic elastomers (TPEs) combine the features of vulcanized thermoset rubbers and
thermoplastic materials in their phase-separated microdomain structure. As a consequence …

Computational prediction of the molecular configuration of three-dimensional network polymers

L De Keer, KI Kilic, PHM Van Steenberge… - Nature Materials, 2021 - nature.com
The three-dimensional arrangement of natural and synthetic network materials determines
their application range. Control over the real-time incorporation of each building block and …

Role of external field in polymerization: mechanism and kinetics

YN Zhou, JJ Li, YY Wu, ZH Luo - Chemical reviews, 2020 - ACS Publications
The past decades have witnessed an increasing interest in developing advanced
polymerization techniques subjected to external fields. Various physical modulations, such …

Kinetics of atom transfer radical polymerization

P Krys, K Matyjaszewski - European Polymer Journal, 2017 - Elsevier
This review encompasses the fundamentals of kinetics of atom transfer radical
polymerization (ATRP). ATRP is a versatile reversible-deactivation radical polymerization …

The strength of multi-scale modeling to unveil the complexity of radical polymerization

DR D'hooge, PHM Van Steenberge… - Progress in Polymer …, 2016 - Elsevier
The strength of multi-scale modeling to support the fundamental understanding and design
of radical polymerization processes is illustrated, considering both controlled and free …

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 …

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… - Reaction Chemistry & …, 2020 - pubs.rsc.org
One of the challenges faced by modern society is the realization of a circular economy for
polymer products. A bottleneck is the understanding of (co) polymer synthesis and …

When polymer reaction engineers play dice: applications of Monte Carlo models in PRE

ALT Brandao, JBP Soares, JC Pinto… - Macromolecular …, 2015 - Wiley Online Library
Monte Carlo methods are heuristic algorithms that use probabilities to select an outcome
among several possible events in a given process. Monte Carlo methods are useful in …

Modeling and theoretical development in controlled radical polymerization

E Mastan, X Li, S Zhu - Progress in Polymer Science, 2015 - Elsevier
Controlled radical polymerization (CRP) systems have gained increasing interests for the
past two decades. Numerous publications may be found in the literature reporting …