Numerical Techniques for the Solution of the Molecular Weight Distribution in Polymerization Mechanisms, State of the Art

Particle by Particle Kinetic Monte Carlo Tracking of Reaction and Mass Transfer Events in Miniemulsion Free Radical Polymerization

(2019) Yoshi W. Marien et al.   MACROMOLECULES

Modeling of High-Pressure Ethene Homo- and Copolymerization

(2019) Paul Peikert et al.   CHEMIE INGENIEUR TECHNIK

Macropropagation Rate Coefficients and Branching Levels in Cationic Ring-Opening Polymerization of 2-Ethyl-2-oxazoline through Prediction of Size Exclusion Chromatography Data

(2019) Francisco J. Arraez et al.   MACROMOLECULES

Computer Simulation of Surface‐Initiated Controlled Radical Polymerization: Effect of Free‐Monomer Model on Brush Properties

(2019) Salomon Turgman‐Cohen et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Extractable content of functional acrylic resins produced by radical copolymerization: A comparison of experiment and stochastic simulation

(2019) Amin Nasresfahani et al.   CHEMICAL ENGINEERING JOURNAL

How chain length dependencies interfere with the bulk RAFT polymerization rate and microstructural control

(2018) Nils De Rybel et al.   CHEMICAL ENGINEERING SCIENCE

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

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

A Dynamic Simulator for Slurry-Phase Catalytic Olefin Copolymerization in a Series of CSTRs: Prediction of Distributed Molecular and Rheological Properties

(2018) Prokopios Pladis et al.   Macromolecular Reaction Engineering

Mathematical Modeling of the Molecular Weight Distribution in Low Density Polyethylene. I. Steady-State Operation of Multizone Autoclave Reactors

(2018) Bruno López-Carpy et al.   Macromolecular Reaction Engineering

A Simple Monte Carlo Method for Modeling Arborescent Polymer Production in Continuous Stirred Tank Reactor

(2018) Yutian R. Zhao et al.   Macromolecular Reaction Engineering

Ab initio kinetic Monte Carlo simulation of seeded emulsion polymerizations of styrene

(2018) Marco Drache et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Effect of Chain Transfer to Polymer in Conventional and Living Emulsion Polymerization Process

(2018) Hidetaka Tobita   Processes

Hyperbranched Polymers Formed Through Self-Condensing Vinyl Polymerization in a Continuous Stirred-Tank Reactor (CSTR): 1. Molecular Weight Distribution

(2018) Hidetaka Tobita   MACROMOLECULAR THEORY AND SIMULATIONS

Tacticity Effect on the Conformational Properties of Polypropylene and Poly(ethylene–propylene) Copolymers

(2018) Panagiotis-Nikolaos Tzounis et al.   MACROMOLECULES

Integrated Kinetic Monte Carlo–Structure–Rheology Model for Solution Copolymerization of Ethylene and α-Olefins

(2018) Umang Agarwal et al.   MACROMOLECULES

Molecular Weight Distribution Simulation in Equilibrium Ring-Opening Polymerization: A New Macroscopic Model

(2017) Teng Long et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Visualization of Bivariate Sequence Length-Chain Length Distribution in Free Radical Copolymerization

(2017) Mohammad Reza Saeb et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Copolymerization of Ethylene with 1,9-Decadiene: Part II-Prediction of Molecular Weight Distributions

(2017) Amanda L. T. Brandão et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Hyperbranched Polymers Formed Through Irreversible Step Polymerization of AB2 -Type Monomer with Substitution Effect in a Continuous Flow Stirred-Tank Reactor (CSTR)

(2017) Hidetaka Tobita   MACROMOLECULAR THEORY AND SIMULATIONS

Hyperbranched Polymers Formed through Irreversible Step Polymerization of AB2-Type Monomer in a Continuous Flow Stirred-Tank Reactor (CSTR)

(2017) Hidetaka Tobita   MACROMOLECULAR THEORY AND SIMULATIONS

Kinetic Monte Carlo Modeling Extracts Information on Chain Initiation and Termination from Complete PLP-SEC Traces

(2017) Yoshi W. Marien et al.   MACROMOLECULES

Fusing Light-Induced Step-Growth Processes with RAFT Chemistry for Segmented Copolymer Synthesis: A Synergetic Experimental and Kinetic Modeling Study

(2017) Thomas Gegenhuber et al.   MACROMOLECULES

A detailed mechanistic study of bulk MADIX of styrene and its chain extension

(2017) Dries J. G. Devlaminck et al.   Polymer Chemistry

Particle activation/deactivation effect in RAFT emulsion polymerization of styrene

(2017) Kun Yan et al.   Reaction Chemistry & Engineering

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

(2016) Lies De Keer et al.   AICHE JOURNAL

Mathematical modeling of the full molecular weight distribution in ATRP techniques

(2016) Iván Zapata-González et al.   AICHE JOURNAL

NMP of styrene in batch and CSTR at elevated temperatures: Modeling experimental trends

(2016) Kevin A. Payne et al.   EUROPEAN POLYMER JOURNAL

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

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

Chain-by-Chain Monte Carlo Simulation: A Novel Hybrid Method for Modeling Polymerization. Part I. Linear Controlled Radical Polymerization Systems

(2016) Derya Demirel Özçam et al.   Macromolecular Reaction Engineering

Dynamic Monte Carlo Simulation of thel,l-Lactide Ring-Opening Polymerization

(2016) Dimitrios Meimaroglou et al.   Macromolecular Reaction Engineering

State-of-the-Art and Progress in Method of Moments for the Model-Based Reversible-Deactivation Radical Polymerization

(2016) Yin-Ning Zhou et al.   Macromolecular Reaction Engineering

Molecular Architecture Manipulation in Free Radical Copolymerization: An Advanced Monte Carlo Approach to Screening Copolymer Chains with Various Comonomer Sequence Arrangements

(2016) Mohammad Reza Saeb et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Universality in Branching Frequencies and Molecular Dimensions during Hyperbranched Polymer Formation: Step Polymerization of AB2Type Monomer with Equal Reactivity

(2016) Hidetaka Tobita   MACROMOLECULAR THEORY AND SIMULATIONS

Universality in Branching Frequencies and Molecular Dimensions during Hyperbranched Polymer Formation: 2. Step Polymerization of AB2Type Monomer with Different Reactivity for the Second B Group

(2016) Hidetaka Tobita   MACROMOLECULAR THEORY AND SIMULATIONS

Chain Transfer in Degenerative RAFT Polymerization Revisited: A Comparative Study of Literature Methods

(2016) Pieter Derboven et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Evolution of Chain Microstructure and Kinetics of Reaching Equilibrium in Living Reversible Copolymerization

(2016) Ryszard Szymanski et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Molecular Weight Distribution of Core Cross-Linked Star Polymers

(2016) Hidetaka Tobita   MACROMOLECULAR THEORY AND SIMULATIONS

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

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

Predicting molecular weight distribution by deterministic modeling and Monte Carlo simulations of radical polymerization with branching and scission allowing for multiradicals and gelation in various reactor configurations

(2015) Nazila Yaghini et al.   CHEMICAL ENGINEERING SCIENCE

Population balance modeling of full two-dimensional molecular weight and branching distributions for ldPE with topological scission in continuous stirred tank reactor

(2015) Nazila Yaghini et al.   CHEMICAL ENGINEERING SCIENCE

Method of moments: A versatile tool for deterministic modeling of polymerization kinetics

(2015) Erlita Mastan et al.   EUROPEAN POLYMER JOURNAL

Improved Livingness and Control over Branching in RAFT Polymerization of Acrylates: Could Microflow Synthesis Make the Difference?

(2015) Pieter Derboven et al.   MACROMOLECULAR RAPID COMMUNICATIONS

Prediction of the Viscoelastic Behavior of Low-Density Polyethylene Produced in High-Pressure Tubular Reactors

(2015) Prokopios Pladis et al.   Macromolecular Reaction Engineering

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

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

Continuous Tanks-in-Series Process for Free-Radical Polymerization with Long-Chain Branching and Scission: Effect of the Order of a Large Tank

(2015) Hidetaka Tobita   Macromolecular Reaction Engineering

Monte Carlo Modeling of Free Radical Polymerization in Microflow Reactors

(2015) Zehui Gao et al.   Macromolecular Reaction Engineering

Stochastic Modeling of Polymer Microstructure From Residence Time Distribution

(2015) Tiago Lemos et al.   Macromolecular Reaction Engineering

Modeling of Branching Distributions in Butyl Acrylate Polymerization Applying Monte Carlo Methods

(2015) Marco Drache et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Parallel Monte Carlo Simulation of Molecular Weight Distribution and Chemical Composition Distribution for Copolymerization on a Graphics Processing Unit Platform

(2015) Jinzu Weng et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Monte Carlo Simulation Studies of Regular and Irregular Dendritic Polymers

(2015) Edyta Wawrzyńska et al.   MACROMOLECULAR THEORY AND SIMULATIONS

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

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

Monte Carlo simulation of free radical polymerization of styrene in a spinning disc reactor

(2014) Yousef Mohammadi et al.   CHEMICAL ENGINEERING JOURNAL

The evolutionary development of chain microstructure during tandem polymerization of ethylene: A Monte Carlo simulation study

(2014) Mohammad Mehdi Khorasani et al.   CHEMICAL ENGINEERING SCIENCE

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

Prediction of the full molecular weight distribution in RAFT polymerization using probability generating functions

(2014) Cecilia Fortunatti et al.   COMPUTERS & CHEMICAL ENGINEERING

Modeling of RAFT Polymerization using Probability Generating Functions. Detailed Prediction of Full Molecular Weight Distributions and Sensitivity Analysis

(2014) Cecilia Fortunatti et al.   Macromolecular Reaction Engineering

Markovian Approach to Free-Radical Polymerization with Simultaneous Long-Chain Branching and Scission: Effect of Branching and Scission Kinetics

(2014) Hidetaka Tobita   Macromolecular Reaction Engineering

Modeling the Polymeric Microstructure of LDPE in Tubular and Autoclave Reactors with a Coupled Deterministic and Stochastic Simulation Approach

(2014) Eric Neuhaus et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Free-Radical Polymerization with Long-Chain Branching and Scission: Markovian Solution of the Weight-Average Molecular Weight

(2014) Hidetaka Tobita   MACROMOLECULAR THEORY AND SIMULATIONS

Mathematical Modeling of Molecular Weight Distributions in Vinyl Chloride Suspension Polymerizations Performed with a Bifunctional Initiator through Probability Generating Functions

(2014) Carlos A. Castor et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Continuous Free-Radical Polymerization with Long-Chain Branching and Scission in a Tanks-in-Series Model

(2014) Hidetaka Tobita   MACROMOLECULAR THEORY AND SIMULATIONS

Modeling Atom-Transfer Radical Polymerization of Butyl Acrylate

(2014) Hendrik Schroeder et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Mechanistic investigation of the simultaneous addition and free-radical polymerization in batch miniemulsion droplets: Monte Carlo simulation versus experimental data in polyurethane/acrylic systems

(2014) Shaghayegh Hamzehlou et al.   POLYMER

Modeling the Mini-Emulsion Copolymerization of N-Butyl Acrylate with a Water-Soluble Monomer: A Monte Carlo Approach

(2013) Shaghayegh Hamzehlou et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Free-Radical Polymerization with Long-Chain Branching and Scission in a Continuous Stirred-Tank Reactor

(2013) Hidetaka Tobita   Macromolecular Reaction Engineering

Modeling of Functional Group Distribution in Copolymerization: A Comparison of Deterministic and Stochastic Approaches

(2013) M. Ali Parsa et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Microstructural Evolution in Linear Low Density Polyethylene During Peroxide Modification: A Monte Carlo Simulation Study

(2013) Mahdi Golriz et al.   MACROMOLECULAR THEORY AND SIMULATIONS

ARGET ATRP of Butyl Methacrylate: Utilizing Kinetic Modeling To Understand Experimental Trends

(2013) Kevin A. Payne et al.   MACROMOLECULES

A New Insight into the Formation of Polymer Networks: A Kinetic Monte Carlo Simulation of the Cross-Linking Polymerization of S/DVB

(2013) Shaghayegh Hamzehlou et al.   MACROMOLECULES

Efficient numerical integration of stiff differential equations in polymerisation reaction engineering: Computational aspects and applications

(2012) Iván Zapata-González et al.   CANADIAN JOURNAL OF CHEMICAL ENGINEERING

Detailed Microstructure Investigation of Acrylate/Methacrylate Functional Copolymers by Kinetic Monte Carlo Simulation

(2012) Shaghayegh Hamzehlou et al.   Macromolecular Reaction Engineering

Investigating Cu(0)-Mediated Polymerizations: New Kinetic Insights Based on a Comparison of Kinetic Modeling with Experimental Data

(2012) Alexander P. Haehnel et al.   Macromolecular Reaction Engineering

Predicting MWD and Branching Distribution of Terminally Branched Polymers Undergoing Random Scission

(2012) Piet D. Iedema   MACROMOLECULAR THEORY AND SIMULATIONS

Linear Gradient Quality of ATRP Copolymers

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

A brief guide to polymer nomenclature (IUPAC Technical Report)

(2012) R. C. Hiorns et al.   PURE AND APPLIED CHEMISTRY

Simulating Controlled Radical Polymerizations with mcPolymer—A Monte Carlo Approach

(2012) Marco Drache et al.   Polymers

Prediction of molecular weight distributions in polymers using probability generating functions

(2011) Claudia Sarmoria et al.   CANADIAN JOURNAL OF CHEMICAL ENGINEERING

Prediction of the molecular and polymer solution properties of LDPE in a high-pressure tubular reactor using a novel Monte Carlo approach

(2011) Dimitrios Meimaroglou et al.   CHEMICAL ENGINEERING SCIENCE

Mathematical modeling of chain-end scission using continuous distribution kinetics

(2011) Jonathan J. Stickel et al.   CHEMICAL ENGINEERING SCIENCE

Full Molecular Weight Distribution in RAFT Polymerization. New Mechanistic Insight by Direct Integration of the Equations

(2011) Iván Zapata-González et al.   MACROMOLECULAR THEORY AND SIMULATIONS

In SituNMR and Modeling Studies of Nitroxide Mediated Copolymerization of Styrene andn-Butyl Acrylate

(2011) Lebohang Hlalele et al.   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

Heterogeneous continuous kinetics modeling of PET depolymerization in supercritical methanol

(2010) Minoru Genta et al.   JOURNAL OF SUPERCRITICAL FLUIDS

Mathematical Modeling of the Microstructure of Poly(propylene) Made with Ziegler-Natta Catalysts in the Presence of Electron Donors

(2010) Ahmad Alshaiban et al.   Macromolecular Reaction Engineering

A Hybrid Galerkin-Monte-Carlo Approach to Higher-Dimensional Population Balances in Polymerization Kinetics

(2010) Christof Schütte et al.   Macromolecular Reaction Engineering

Returning to Basics: Direct Integration of the Full Molecular-Weight Distribution Equations in Addition Polymerization

(2010) Enrique Saldívar-Guerra et al.   MACROMOLECULAR THEORY AND SIMULATIONS

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

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

Mathematical Modeling of Bivariate Polymer Property Distributions Using 2D Probability Generating Functions, 1 - Numerical Inversion Methods

(2010) Mariano Asteasuain et al.   MACROMOLECULAR THEORY AND SIMULATIONS

On the Incorrectness of the Factor 2 in the Radical Termination Equation

(2010) Ryszard Szymanski   MACROMOLECULAR THEORY AND SIMULATIONS

A Novel Stochastic Approach for the Prediction of the Exact Topological Characteristics and Rheological Properties of Highly-Branched Polymer Chains

(2010) Dimitrios Meimaroglou et al.   MACROMOLECULES

Simulation of styrene free radical polymerization over bi-functional initiators using Monte Carlo simulation method and comparison with mono-functional initiators

(2010) Zahra Khubi-Arani et al.   POLYMER SCIENCE SERIES B

Gradient Copolymers by ATRP in Semibatch Reactors: Dynamic Monte Carlo Simulation

(2009) Mamdouh Al-Harthi et al.   Macromolecular Reaction Engineering

Dynamic Monte Carlo Simulation of ATRP in a Batch Reactor

(2009) Mamdouh A. Al-Harthi et al.   MACROMOLECULAR THEORY AND SIMULATIONS

RAFT Miniemulsion Polymerization Kinetics, 2 - Molecular Weight Distribution

(2009) Hidetaka Tobita   MACROMOLECULAR THEORY AND SIMULATIONS

Continuous-distribution kinetics for degradation of polybutylene terephthalate (PBT) in supercritical methanol

(2009) Jie Huang et al.   POLYMER DEGRADATION AND STABILITY

Dynamic prediction of the bivariate molecular weight–copolymer composition distribution using sectional-grid and stochastic numerical methods

(2008) Apostolos Krallis et al.   CHEMICAL ENGINEERING SCIENCE

Molecular Weight Distribution (Soluble and Insoluble Fraction) in Emulsion Polymerization of Acrylate Monomers by Monte Carlo Simulations

(2008) Gurutze Arzamendi et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Application of Monte Carlo simulation method to polymerization kinetics over Ziegler-Natta catalysts

(2008) Mehdi Salami-Kalajahi et al.   INTERNATIONAL JOURNAL OF CHEMICAL KINETICS

“Living” Radical Polymerization in Tubular Reactors, 2 - Process Optimization for Tailor-Made Molecular Weight Distributions

(2008) Mariano Asteasuain et al.   Macromolecular Reaction Engineering

Chain Length Distributions of Polyolefins Made in Stopped-Flow Reactors for Non-Instantaneous Site Activation

(2008) João B. P. Soares et al.   Macromolecular Reaction Engineering

Computer Aided Modeling of Polymer Reaction Engineering-The Status of Predici, I-Simulation

(2008) Michael Wulkow   Macromolecular Reaction Engineering

Modeling and Simulating Chemical Reactions

(2008) Desmond J. Higham   SIAM REVIEW