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

DR D'hooge, PHM Van Steenberge… - Progress in Polymer …, 2016 - Elsevier
The strength of multi-scale modeling to support the fundamental understanding and design
of radical polymerization processes is illustrated, considering both controlled and free …

Multiscale modelling of multizone gas phase propylene (co) polymerization reactors—A comprehensive review

K Kulajanpeng, N Sheibat‐Othman… - … Canadian Journal of …, 2022 - Wiley Online Library
Catalysts and polymerization processes have evolved over the years. Such significant
developments have allowed producers to broaden the range of polymer microstructure and …

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

PHM Van Steenberge, DR D'hooge… - Chemical Engineering …, 2014 - Elsevier
Composite binary trees are introduced for an improved kinetic Monte Carlo (kMC)
calculation of chemical composition-chain length distributions (CC-CLDs) in polymerization …

Development of a multi-scale, multi-phase, multi-zone dynamic model for the prediction of particle segregation in catalytic olefin polymerization FBRs

G Dompazis, V Kanellopoulos, V Touloupides… - Chemical Engineering …, 2008 - Elsevier
A comprehensive multi-scale, multi-phase, multi-compartment dynamic model is developed
to analyze the extent of particle segregation in catalytic, gas-phase ethylene–propylene …

Modeling of the temperature profile in an ethylene polymerization fluidized-bed reactor in condensed-mode operation

Y Zhou, J Wang, Y Yang, W Wu - Industrial & Engineering …, 2013 - ACS Publications
Condensed-mode operation of an ethylene polymerization fluidized-bed reactor is of great
significance in academic and industrial circles. Based on the classical emulsion–bubble two …

Tailoring Mono-, Bi-, and trimodal molar mass distributions and all-hydrocarbon composites by ethylene polymerization on Bis (imino) pyridine Chromium (III) …

F Zhong, R Thomann, R Mülhaupt - Macromolecules, 2019 - ACS Publications
Multimodal molar mass distributions (MWD) of high-density polyethylene (HDPE) were
tailored either by reactor cascade technology using a chain transfer agent or by multisite …

Synthesis of molecular weight controllable bimodal polyethylene from fluorinated FI–Ti catalyst coupled with ZnEt2

W Liu, S Guo, Z Bu, H Fan, WJ Wang, BG Li - European polymer journal, 2013 - Elsevier
Molecular weight controllable bimodal polyethylene was synthesized by adding ZnEt2
during ethylene living polymerization with the fluorinated FI–Ti catalyst system, bis [N-(3 …

Design of optimal sequential experiments to improve model predictions from a polyethylene molecular weight distribution model

DE Thompson, KB McAuley… - Macromolecular …, 2010 - Wiley Online Library
Reliable model predictions require an appropriate model structure and also good parameter
estimates. For good parameter estimates to be obtained, it is important that the data used in …

A Simplified Model for Prediction of Molecular Weight Distributions in Ethylene‐Hexene Copolymerization Using Ziegler‐Natta Catalysts

DE Thompson, KB McAuley… - Macromolecular …, 2007 - Wiley Online Library
A simplified steady‐state model has been developed to predict molecular weight
distributions and average compositions of ethylene‐hexene copolymers produced using …

Modeling of polyolefin polymerization in semibatch slurry reactors: experiments and simulations

T Casalini, F Visscher, E Janssen… - Macromolecular …, 2017 - Wiley Online Library
In this work, a well‐known single‐particle model (the multigrain model) is applied to simulate
size growth and morphology evolution of polyethylene particles obtained through a slurry …