Research Explorer

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Researcher

Freddy Figueira De Barros

Publications & Research Data

Awards & Distinctions

26 Results

2025

Macromolecular kinetic Monte Carlo simulations taking only a moment

Freddy L. FigueiraPaul Van SteenbergeYin-Ning ZhouZheng-Hong LuoDagmar 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 two‐phase method of moments model for high‐impact polystyrene phase inversion conversion and molecular properties

Chen‐Xu ZhuJie JinYi‐Yang WuFreddy L. FigueiraMariya EdelevaPaul Van SteenbergeDagmar D'hoogeYin‐Ning ZhouZheng‐Hong Luo

A1 Journal Article in AICHE JOURNAL

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

Freddy L. FigueiraPablo Reyes IsaacuraMariya EdelevaYoshi MarienYi-Yang WuYin-Ning ZhouZheng-Hong LuoPaul Van SteenbergeDagmar D'hooge

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Coupled matrix Monte Carlo modeling to support polymeric composite production, polymer modification and recycling

Yoshi MarienFreddy L. FigueiraMariya EdelevaPaul Van SteenbergeDagmar D'hooge

Exploring the influence of polybutadiene content on high-impact polystyrene properties : a multiphase coupled matrix-based Monte Carlo approach

Freddy L. FigueiraPaul Van SteenbergeYin-Ning ZhouZheng-Hong LuoDagmar D'hooge

Impact of rubber content on average properties and distributions of high impact polystyrene by means of multiphase coupled matrix-based Monte Carlo

Freddy L. FigueiraYin-Ning ZhouPaul Van SteenbergeZheng-Hong LuoDagmar D'hooge

2023

Constructing and validating ternary phase diagrams as basis for polymer dissolution recycling

Ruben DenolfJoël HogieFreddy L. FigueiraIne MertensTobias De SomerDagmar D'hoogeRichard HoogenboomSteven De Meester

A1 Journal Article in JOURNAL OF MOLECULAR LIQUIDS

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

Deterministic and stochastic model-based design for free radical polymerization and induced grafting of styrene

Freddy L. FigueiraDagmar D'hoogePaul Van Steenberge

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

Multi-scale theoretical tools for in silico macromolecular chemistry and engineering

Mariya EdelevaFrancisco Jose Arraez HernandezYi-Yang WuFreddy Figueira De BarrosYoshi MarienYin-Ning ZhouZheng-Hong LuoPaul Van SteenbergeDagmar D'hooge

Bookchapter in In-silico approaches to macromolecular chemistry

One- and two-phase modelling of free radical induced grafting of polybutadiene with styrene by means of kinetic Monte Carlo

Freddy L. Figueirayin-ning ZhouZhang-Hong LuoPaul Van SteenbergeDagmar D'hooge

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

Cost‐efficient modeling of distributed molar mass and topological variations in graft copolymer synthesis by upgrading the method of moments

Yi‐Yang WuFreddy Figueira De BarrosMariya EdelevaPaul Van SteenbergeDagmar D'hoogeYin‐Ning ZhouZheng‐Hong Luo

A1 Journal Article in AICHE JOURNAL

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

Freddy L. FigueiraAlessandro TrigilioPaul Van SteenbergeDagmar D'hooge

Procedures and guidelines for inputting and output smoothening of kinetic Monte Carlo distributions

Lies De KeerMariya EdelevaFreddy Figueira De BarrosPablo Reyes IsaacuraDagmar D'hoogePaul Van Steenberge

A1 Journal Article in ADVANCED THEORY AND SIMULATIONS

Sensitivity analysis of isothermal free radical induced grafting through application of the distribution : numerical fractionation : method of moments

Chen-Xu ZhuYi-Yang WuFreddy Figueira De BarrosPaul Van SteenbergeDagmar D'hoogeYin-Ning ZhouZheng-Hong Luo

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

2021

Bridging principal component analysis and method of moments based parameter estimation for grafting of polybutadiene with styrene

Yi-Yang WuFreddy Figueira De BarrosPaul Van SteenbergeDagmar D'hoogeYin-Ning ZhouZheng-Hong Luo

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Coupled matrix kinetic Monte Carlo simulations applied for advanced understanding of polymer grafting kinetics

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

Coupled matrix kinetic Monte Carlo simulations applied for advanced understanding of polymer grafting kinetics

Freddy Figueira De BarrosYi-Yang WuYin-Ning ZhouZheng-Hong LuoPaul Van SteenbergeDagmar D'hooge

A1 Journal Article in REACTION CHEMISTRY & ENGINEERING

Guidelines on translating chain length and molar mass distributions in polymer science

Yoshi MarienMariya EdelevaFreddy L. FigueiraFrancisco Jose Arraez HernandezPaul Van SteenbergeDagmar D'hooge

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

Yoshi MarienMariya EdelevaFreddy L. FigueiraFrancisco Jose Arraez HernandezPaul Van SteenbergeDagmar D'hooge

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

Yoshi MarienMariya EdelevaFreddy Figueira De BarrosFrancisco Jose Arraez HernandezPaul Van SteenbergeDagmar D'hooge

A1 Journal Article in MACROMOLECULAR THEORY AND SIMULATIONS

2020

Benchmarking stochastic and deterministic kinetic modeling of bulk and solution radical polymerization processes by including six types of factors two

Lies De KeerFreddy Figueira De BarrosYoshi MarienKyann De SmitMariya EdelevaPaul Van SteenbergeDagmar D'hooge

A1 Journal Article in MACROMOLECULAR THEORY AND SIMULATIONS

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