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 …

Radical polymerization of acrylates, methacrylates, and styrene: Biobased approaches, mechanism, kinetics, secondary reactions, and modeling

T Pirman, M Ocepek, B Likozar - Industrial & Engineering …, 2021 - ACS Publications
Biobased polymer molecules are a goal for the future. Here, the different intermediate
pathways toward renewable structural constituents, which can substitute petrochemically …

The method of moments used in polymerization reaction engineering for 70 years: An overview, tutorial, and minilibrary

I Zapata‐González… - The Canadian Journal of …, 2023 - Wiley Online Library
In the last seven decades, the method of moments (MoM) has become an invaluable tool in
the field of polymerization reaction engineering, due to the simplicity of translating a complex …

Translating simulated chain length and molar mass distributions in chain‐growth polymerization for experimental comparison and mechanistic insight

YW Marien, M Edeleva, FL Figueira… - Macromolecular …, 2021 - Wiley Online Library
The molar mass distribution (MMD), which is also known as the molecular weight distribution
(MWD), is a key molecular property for a polymerization process, as it determines polymer …

Impact of side reactions on molar mass distribution, unsaturation level and branching density in solution free radical polymerization of n-butyl acrylate under well …

M Edeleva, YW Marien, PHM Van Steenberge… - Polymer …, 2021 - pubs.rsc.org
The radical chemistry of polyacrylate synthesis is non-trivial, due to a significant amount of
side reactions. Backbiting transforms conventional secondary end-chain radicals (ECRs) in …

How phase transfer increases the number of kinetic regimes from three to seven in nitroxide mediated polymerization of n-butyl acrylate in aqueous miniemulsion

E Zeinali, YW Marien, SR George… - Chemical Engineering …, 2023 - Elsevier
One of the challenges in reversible deactivation radical polymerization (RDRP) in
miniemulsion is identifying the optimal average particle size (dp), offering both high reaction …

Jacket temperature regulation allowing well-defined non-adiabatic lab-scale solution free radical polymerization of acrylates

M Edeleva, YW Marien… - Reaction Chemistry & …, 2021 - pubs.rsc.org
Conventional batch solution free radical polymerization (FRP) of n-butyl acrylate (nBuA) with
thermal initiators such as 2, 2′-azobis (2-methylpropionitrile)(AIBN) is known to be strongly …

Deterministic modeling of non-adiabatic solution radical polymerization of n-butyl acrylate in light of runaway prevention

YN Yang, CX Zhu, YN Zhou, ZH Luo - Chemical Engineering Journal, 2022 - Elsevier
Acrylate polymerizations with high exothermicity exhibit strongly non-isothermal
characteristics. The presence of side reactions involved in the polymerization mechanisms …

Scaling Acceleration Algorithm for Hybrid Kinetic Monte Carlo Simulation of Linear Radical Polymerization

Y Fang, H Gao - Macromolecules, 2023 - ACS Publications
Polymer materials design is essential in a wide range of industries, and the simulation of
polymerization reactions provides a promising approach to the efficient design of synthesis …

Coupled matrix-based Monte Carlo modeling for a mechanistic understanding of poly (methyl methacrylate) thermochemical recycling kinetics

EKC Moens, YW Marien, FL Figueira, AD Trigilio… - Chemical Engineering …, 2023 - Elsevier
Abstract Coupled matrix-based Monte Carlo (CMMC) modeling is applied to gain a deeper
understanding of the mechanism underlying the thermochemical degradation of poly (methyl …