[HTML][HTML] Mechanochemical tools for polymer materials
Mechanochemistry provides a unique approach to investigate macroscopic deformation,
failure and healing of polymer materials. The development of mechanophores–molecular …
failure and healing of polymer materials. The development of mechanophores–molecular …
Computational prediction of the molecular configuration of three-dimensional network polymers
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 …
their application range. Control over the real-time incorporation of each building block and …
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 …
Two step model for crosslinking polymerization with account of diffusion
N Sbirrazzuoli, S Vyazovkin - Chemical Engineering Journal, 2024 - Elsevier
The proposed model includes two parallel reactions, initiation and propagation that
respectively follow the reaction order and autocatalytic kinetics. The effect of diffusion is …
respectively follow the reaction order and autocatalytic kinetics. The effect of diffusion is …
Synergy of advanced experimental and modeling tools to underpin the synthesis of static step-growth-based networks involving polymeric precursor building blocks
L De Keer, F Cavalli, D Estupiñán, AJD Krüger… - …, 2021 - ACS Publications
The strength of combining experimental design and advanced kinetic Monte Carlo (kMC)
modeling to understand step-growth network synthesis, commencing with a linear/star …
modeling to understand step-growth network synthesis, commencing with a linear/star …
The erythromycin sorption removal at environmentally relevant concentration based on molecular imprinted polymer: Performance and mechanism
WM Xie, Y Wu, WY Yan, Y Ma, H Meng, GX Wang… - Environmental …, 2023 - Elsevier
The antibiotic pollution emerged in different environments has raised a great concern.
Adsorption is an effective method to solve the problem. However, conventional adsorbents …
Adsorption is an effective method to solve the problem. However, conventional adsorbents …
[HTML][HTML] Hyperbranched Copolymers of Methacrylic Acid and Lauryl Methacrylate HP (MAA-co-LMA): Synthetic Aspects and Interactions with Biorelevant Compounds
A Balafouti, S Pispas - Pharmaceutics, 2023 - mdpi.com
The synthesis of novel copolymers using one-step reversible addition-fragmentation chain
transfer (RAFT) copolymerization of biocompatible methacrylic acid (MAA), lauryl …
transfer (RAFT) copolymerization of biocompatible methacrylic acid (MAA), lauryl …
Advances in Drug-Loaded Contact Lenses for Glaucoma: Materials, Evaluation Parameters, and Novel Drug Delivery Strategies with Modified Nanoparticles
Glaucoma, a chronic eye disease characterized by high intraocular pressure, poses
challenges in drug delivery due to ocular physiological barriers. Traditional formulations …
challenges in drug delivery due to ocular physiological barriers. Traditional formulations …
Gelation suppression in RAFT polymerization
FY Lin, M Yan, EW Cochran - Macromolecules, 2019 - ACS Publications
In this article, we extend the understanding of gelation suppression in reversible addition–
fragmentation chain-transfer (RAFT) polymerization in systems with long primary chains and …
fragmentation chain-transfer (RAFT) polymerization in systems with long primary chains and …
Distribution changes during thermal degradation of poly (styrene peroxide) by pairing tree-based kinetic Monte Carlo and artificial intelligence tools
O Dogu, PP Plehiers, R Van de Vijver… - Industrial & …, 2021 - ACS Publications
A tree-based kinetic Monte Carlo (kMC) model is presented that differentiates between 38
end-group pairs for isothermal degradation of poly (styrene peroxide)(PSP). The binary trees …
end-group pairs for isothermal degradation of poly (styrene peroxide)(PSP). The binary trees …