Parameter Estimation and Kinetic Monte Carlo Simulation of Styrene and n-Butyl Acrylate Copolymerization through ATRP

General Method for Speeding Up Kinetic Monte Carlo Simulations

(2020) Artur S. C. Rego et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Gillespie-Driven kinetic Monte Carlo Algorithms to Model Events for Bulk or Solution (Bio)Chemical Systems Containing Elemental and Distributed Species

(2020) Alessandro D. Trigilio et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Design of 2‐hydroxyethyl methacrylate‐functional macromonomer dispersants by semi‐batch cobalt chain transfer polymerization

(2019) Paul H. M. Van Steenberge et al.   AICHE JOURNAL

Modeling of 1,3‐Butadiene Solution Polymerizations Catalyzed by Neodymium Versatate

(2019) Mateus K. Vasconcelos et al.   POLYMER ENGINEERING AND SCIENCE

An evaluation of the impact of SG1 disproportionation and the addition of styrene in NMP of methyl methacrylate

(2018) Stijn K. Fierens et al.   AICHE JOURNAL

Modeling the Distribution of Functional Groups in Semibatch Radical Copolymerization: An Accelerated Stochastic Approach

(2018) Amin Nasresfahani et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Kinetic Monte Carlo Generation of Complete Electron Spray Ionization Mass Spectra for Acrylate Macromonomer Synthesis

(2017) Paul H. M. Van Steenberge et al.   MACROMOLECULES

Modeling and parameter estimation of step-growth polymerization of poly(ethylene-2,5-furandicarboxylate)

(2017) Amanda L.T. Brandão et al.   POLYMER ENGINEERING AND SCIENCE

Sequence-controlled polymers via reversible-deactivation radical polymerization

(2017) Makoto Ouchi et al.   POLYMER JOURNAL

A complete understanding of the reaction kinetics for the industrial production process of expandable polystyrene

(2016) Lies De Keer et al.   AICHE JOURNAL

Modeling of RAFT Polymerization Processes Using an Efficient Monte Carlo Algorithm in Julia

(2016) Esteban Pintos et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

An alternative method to estimate the bulk backbiting rate coefficient in acrylate radical polymerization

(2016) Yoshi W. Marien et al.   Polymer Chemistry

The strength of multi-scale modeling to unveil the complexity of radical polymerization

(2016) Dagmar R. D’hooge et al.   PROGRESS IN POLYMER SCIENCE

MAMA-SG1 initiated nitroxide mediated polymerization of styrene: From Arrhenius parameters to model-based design

(2015) Stijn K. Fierens et al.   CHEMICAL ENGINEERING JOURNAL

Acceleration of Kinetic Monte Carlo Method for the Simulation of Free Radical Copolymerization through Scaling

(2015) Hanyu Gao et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

When Polymer Reaction Engineers Play Dice: Applications of Monte Carlo Models in PRE

(2015) Amanda L. T. Brandão et al.   Macromolecular Reaction Engineering

Stochastic Modeling of Polymer Microstructure From Residence Time Distribution

(2015) Tiago Lemos et al.   Macromolecular Reaction Engineering

Model-based design of the polymer microstructure: bridging the gap between polymer chemistry and engineering

(2015) Dagmar R. D'hooge et al.   Polymer Chemistry

Improved kinetic Monte Carlo simulation of chemical composition-chain length distributions in polymerization processes

(2014) P.H.M. Van Steenberge et al.   CHEMICAL ENGINEERING SCIENCE

Macromolecular Engineering by Atom Transfer Radical Polymerization

(2014) Krzysztof Matyjaszewski et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

4-Dimensional Modeling Strategy for an Improved Understanding of Miniemulsion NMP of Acrylates Initiated by SG1-Macroinitiator

(2014) Paul H. M. Van Steenberge et al.   MACROMOLECULES

Fed-Batch Control and Visualization of Monomer Sequences of Individual ICAR ATRP Gradient Copolymer Chains

(2014) Dagmar D'hooge et al.   Polymers

The Crucial Role of Diffusional Limitations in Controlled Radical Polymerization

(2013) Dagmar R. D'hooge et al.   Macromolecular Reaction Engineering

A Theoretical Exploration of the Potential of ICAR ATRP for One- and Two-Pot Synthesis of Well-Defined Diblock Copolymers

(2013) Carolina Toloza Porras et al.   Macromolecular Reaction Engineering

Computer-Aided Optimization of Conditions for Fast and Controlled ICAR ATRP ofn-Butyl Acrylate

(2013) Carolina Toloza Porras et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Atom Transfer Radical Polymerization: From Mechanisms to Applications

(2012) Krzysztof Matyjaszewski   ISRAEL JOURNAL OF CHEMISTRY

Linear Gradient Quality of ATRP Copolymers

(2012) Paul H. M. Van Steenberge et al.   MACROMOLECULES

Atom Transfer Radical Polymerization (ATRP): Current Status and Future Perspectives

(2012) Krzysztof Matyjaszewski   MACROMOLECULES

Kinetic Monte Carlo Modeling of the Sulfinyl Precursor Route for Poly(p-phenylene vinylene) Synthesis

(2011) Paul H. M. Van Steenberge et al.   MACROMOLECULES

ATRP in the design of functional materials for biomedical applications

(2011) Daniel J. Siegwart et al.   PROGRESS IN POLYMER SCIENCE

Fundamentals of Atom Transfer Radical Polymerization

(2010) Veerle M. C. Coessens et al.   JOURNAL OF CHEMICAL EDUCATION

Mathematical Modeling of MWD and CBD in Polymerizations with Macromonomer Reincorporation and Chain Running

(2010) Luis Carlos Ferreira et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Recent developments in metal-catalyzed living radical polymerization

(2010) Masami Kamigaito   POLYMER JOURNAL

Methodology for Kinetic Modeling of Atom Transfer Radical Polymerization

(2009) Dagmar R. D'hooge et al.   Macromolecular Reaction Engineering

Factors Affecting the Formation of the Monomer Sequence along Styrene/Methyl Methacrylate Gradient Copolymer Chains

(2009) Lin Wang et al.   MACROMOLECULES

Nonlinear parameter estimation through particle swarm optimization

(2007) Marcio Schwaab et al.   CHEMICAL ENGINEERING SCIENCE