A novel model-based protocol to quantify the competition of scission and crosslinking for grafting-based reactive extrusion of poly(lactic acid) from molecular to material level

Auteur(s)

Upgrading event driven Monte Carlo simulations for molecule‐based morphological control for battery and sensor applications

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Applied Research - ISSN 2702-4288-3:5 (2024) p. 1-10
Auteur(s)
    Yoshi Marien, Maofan Zhou, Mariya Edeleva, Dagmar R. D'hooge

A signal‐to‐noise‐ratio‐based automated algorithm to accelerate kinetic Monte Carlo convergence in basic polymerizations

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Advanced theory and simulations - ISSN 2513-0390-7:2 (2024) p. 1-16
Auteur(s)
    Alessandro D. Trigilio, Yoshi Marien, Kyann De Smit, Paul H.M. Van Steenberge, Dagmar D'hooge

Combining ternary phase diagrams and multiphase coupled matrix-based Monte Carlo to model phase dependent compositional and molar mass variations in high impact polystyrene synthesis

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Chemical engineering journal - ISSN 1385-8947-481 (2024) p. 1-15
Auteur(s)
    Freddy L. Figueira, Pablo Reyes, Mariya Edeleva, Yoshi Marien, Yi-Yang Wu, Yin-Ning Zhou, Zheng-Hong Luo, Paul H.M. Van Steenberge, Dagmar R. D'hooge

Comparing SG1 and TEMPO for NMP of n-butyl acrylate in miniemulsion to optimize the average particle size for rate and molecular control

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Reaction chemistry & engineering - ISSN 2058-9883-9:6 (2024) p. 1334-1353
Auteur(s)
    Elnaz Zeinali, Yoshi Marien, Mariya Edeleva, Sean R. George, Michael F. Cunningham, Dagmar R. D'hooge, Paul H.M. Van Steenberge