Research Explorer

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Researcher

Alessandro Trigilio

Publications & Research Data

Awards & Distinctions

31 Results

2025

Benchmark cases and guidelines for kinetic Monte Carlo simulations with linear polymers

Tomás Romero PietrafesaAlessandro TrigilioYoshi MarienPablo Reyes IsaacuraMariya EdelevaMariano AsteasuainPaul Van SteenbergeDagmar D'hooge

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

From sol–gel chemistry to nanofiber membranes : a model-based approach

Sofie VerschraegenAlice NovelloEva LoccufierAlessandro TrigilioKlaartje De BuysserDagmar D'hoogeKaren De Clerck

Model-based molecular rules for electrospinning solutions to deliver well-defined organosilica membranes

Sofie VerschraegenAlice NovelloEva LoccufierAlessandro TrigilioKlaartje De BuysserDagmar D'hoogeKaren De Clerck

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Solvent dependent rate coefficients to predict urethanization kinetics of phenyl isocyanate and 1-butanol in conventional and green media

Lynn TrossaertMariya EdelevaAlessandro TrigilioPaul Van SteenbergeHendrik KattnerDagmar D'hooge

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Toward faster kinetic Monte Carlo solvers to enhance polymer reaction engineering simulations

Freddy L. FigueiraAlessandro TrigilioPaul Van SteenbergeDagmar D'hooge

2024

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

Alessandro TrigilioYoshi MarienKyann De SmitPaul Van SteenbergeDagmar D'hooge

A1 Journal Article in ADVANCED THEORY AND SIMULATIONS

Bridging scales from molecular design to material performance and application potential in polymer network research

Eva LoccufierAlessandro TrigilioSofie VerschraegenKlaartje De BuysserDagmar D'hoogeKaren De Clerck

Integrating 29Si NMR and kinetic Monte Carlo modeling to capture (in)organic polymer crosslinking kinetics

Sofie VerschraegenAlessandro TrigilioMariya EdelevaEva LoccufierLies De KeerPablo Reyes IsaacuraKlaartje De BuysserPaul Van SteenbergeKaren De ClerckReinhold Dauskardt et al.

Molecular design, material performance and the application potential in polymer network research

Eva LoccufierAlessandro TrigilioSofie VerschraegenKlaartje De BuysserDagmar D'hoogeKaren De Clerck

Optimizing kMC simulations for efficient and accurate polymer reaction engineering

Alessandro TrigilioPaul Van SteenbergeDagmar D'hooge

Unraveling new mechanisms for polyurethane formation : complex formation and solvent effects

Lynn TrossaertMariya EdelevaPaul Van SteenbergeHendrik KattnerAlessandro TrigilioDagmar D'hooge

Unveiling (in)organic polymer crosslinking kinetics through 29si NMR and kinetic Monte Carlo modeling

Sofie VerschraegenAlessandro TrigilioMariya EdelevaEva LoccufierLies De KeerPablo Reyes IsaacuraKlaartje De BuysserPaul Van SteenbergeKaren De ClerckReinhold Dauskardt et al.

2023

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

Eli MoensYoshi MarienFreddy L. FigueiraAlessandro TrigilioKyann De SmitKevin Van GeemPaul Van SteenbergeDagmar D'hooge

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Explicit stochastic modeling of termination chain length dependencies for all disparate radical pairs in single phase free radical induced grafting

Freddy L. FigueiraAlessandro TrigilioYi-Yang WuYin-Ning ZhouZheng-Hong LuoPaul Van SteenbergeDagmar D'hooge

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

How to automate the convergence in basic and complex kMC simulations for polymerization processes

Alessandro TrigilioYoshi MarienPaul Van SteenbergeDagmar D'hooge

Kinetic Monte Carlo convergence demands for thermochemical recycling kinetics of vinyl polymers with dominant depropagation

Eli MoensYoshi MarienAlessandro TrigilioKevin Van GeemPaul Van SteenbergeDagmar D'hooge

A1 Journal Article in PROCESSES

Kinetic Monte Carlo residence time distributions and kinetics in view of extrusion-based polymer modification and recycling

Kyann De SmitMariya EdelevaAlessandro TrigilioYoshi MarienPaul Van SteenbergeDagmar D'hooge

A1 Journal Article in REACTION CHEMISTRY & ENGINEERING

Pushing forward coupled matrix-based Monte Carlo simulations for polymer circularity

Yoshi MarienKyann De SmitAnnabelle VerberckmoesAlessandro TrigilioMariya EdelevaPaul Van SteenbergeLudwig CardonDagmar D'hooge

Simulation time analysis of kinetic Monte Carlo algorithmic steps for basic radical (de)polymerization kinetics of linear polymers

Alessandro TrigilioYoshi MarienMariya EdelevaDagmar D'hoogePaul Van Steenberge

A1 Journal Article in REACTION CHEMISTRY & ENGINEERING

Toward an automated convergence tool for kinetic Monte Carlo simulation of conversion, distributions, and their averages in non-dispersed phase linear chain-growth polymerization

Alessandro TrigilioYoshi MarienPaul Van SteenbergeDagmar D'hooge

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

2022

A detailed kinetic study of single phase free radical induced grafting of polybutadiene with styrene

Freddy L. FigueiraAlessandro TrigilioYi-Yang WuYin-Ning ZhouZheng-Hong LuoPaul Van SteenbergeDagmar D'hooge

Improved models for diffusion-limited termination to predict kinetics and distributions in free radical induced grafting

Freddy L. FigueiraAlessandro TrigilioPaul Van SteenbergeDagmar D'hooge

Increasing the kMC potential from linear to branched polymers : the case of surface-initiated polymerization and its 3D representation

Alessandro TrigilioFrancisco Jose Arraez HernandezMariya EdelevaYoshi MarienPaul Van SteenbergeDagmar D'hooge

Optimal search methods for selecting distributed species in Gillespie-based kinetic Monte Carlo

Alessandro TrigilioYoshi MarienMariya EdelevaPaul Van SteenbergeDagmar D'hooge

A1 Journal Article in COMPUTERS & CHEMICAL ENGINEERING

Performance analysis of kinetic Monte Carlo algorithms for population balance models

Alessandro TrigilioDagmar D'hoogePaul Van Steenberge

Performance analysis of kinetic Monte Carlo algorithms for synthesis of linear polymers

Alessandro TrigilioYoshi MarienMariya EdelevaPaul Van SteenbergeDagmar D'hooge

Pushing forward the predictive power of kinetic Monte Carlo simulations for detailed (de)polymerization chemistries

Yoshi MarienAlessandro TrigilioMariya EdelevaPaul Van SteenbergeDagmar D'hooge

The impact of the residence time distribution on chemical modifications in extruders

Kyann De SmitAlessandro TrigilioMariya EdelevaYoshi MarienPaul Van SteenbergeDagmar D'hooge

2020

Gillespie-driven kinetic Monte Carlo algorithms to model events for bulk and solution (bio)chemical systems containing elemental and distributed species

Alessandro TrigilioYoshi MarienPaul Van SteenbergeDagmar D'hooge

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Playing with and coupling kinetic Monte Carlo matrices to map polymer reaction engineering applications

Paul Van SteenbergeFreddy L. FigueiraLies De KeerMariya EdelevaAlessandro TrigilioYoshi MarienDagmar D'hooge

Progress in reaction mechanisms and reactor technologies for thermochemical recycling of poly(methyl methacrylate)

Eli MoensKyann De SmitYoshi MarienAlessandro TrigilioPaul Van SteenbergeKevin Van GeemJean-Luc DuboisDagmar D'hooge

A1 Journal Article in POLYMERS