Computational modeling toward full chain of polypropylene production: From molecular to industrial scale

WC Yan, T Dong, YN Zhou, ZH Luo - Chemical Engineering Science, 2023 - Elsevier
Since polypropylene was synthesized in 1954, tremendous breakthroughs have been
achieved in transferring polypropylene from a discovery in the laboratory to an …

Slurry-phase ethylene polymerization processes: a review on multiscale modeling and simulations

AK Thakur, SK Gupta, P Chaudhari - Reviews in Chemical …, 2022 - degruyter.com
Slurry polymerization processes using Zeigler–Natta catalysts, are most widely used for the
production of polyethylene due to their several advantages over other processes. Significant …

Simultaneous robust data reconciliation and gross error detection through particle swarm optimization for an industrial polypropylene reactor

DM Prata, M Schwaab, EL Lima, JC Pinto - Chemical Engineering Science, 2010 - Elsevier
In a previous study, a nonlinear dynamic data reconciliation procedure (NDDR) based on
the particle swarm optimization (PSO) method was developed and validated in line and in …

A conceptual multilevel approach to polyolefin reaction engineering

JBP Soares, TFL McKenna - The Canadian Journal of Chemical …, 2022 - Wiley Online Library
This article gives a wide overview of different types of mathematical models that can be used
to describe the polymerization of linear olefins with coordination catalysts. We expanded the …

Nonlinear dynamic data reconciliation and parameter estimation through particle swarm optimization: Application for an industrial polypropylene reactor

DM Prata, M Schwaab, EL Lima, JC Pinto - Chemical Engineering Science, 2009 - Elsevier
This work presents a procedure to solve nonlinear dynamic data reconciliation (NDDR)
problems with simultaneous parameter estimation based on particle swarm optimization …

Modeling and simulation of propylene polymerization in nonideal loop reactors

AS Reginato, JJ Zacca, AR Secchi - AIChE journal, 2003 - Wiley Online Library
A dynamic mathematical model for liquid‐phase polymerization in loop reactors was
developed and implemented in language C using S‐functions in a MATLAB/SIMULINK …

Numerical simulation of liquid–solid two-phase flow in a tubular loop polymerization reactor

DP Shi, ZH Luo, ZW Zheng - Powder Technology, 2010 - Elsevier
Understanding hydrodynamics of tubular loop reactors is crucial in proper scale-up and
design of these reactors. Computational fluid dynamics (CFD) models have shown promise …

Ziegler‐Natta Catalysts

G Cecchin, G Morini… - Kirk‐Othmer Encyclopedia …, 2000 - Wiley Online Library
Ziegler‐Natta catalysts, discovered in the years 1953–1954, account today for a production
volume of∼ 65 million tons of polyolefins, including mainly polyethylene and polypropylene …

Catalytic olefin polymerization process modeling: multi‐scale approach and modeling guidelines for micro‐scale/kinetic modeling

V Touloupidis - Macromolecular Reaction Engineering, 2014 - Wiley Online Library
The scope of this work is to explain the multi‐scale polymerization process modeling
framework, comprising of polymerization kinetics (micro‐scale), system thermodynamics …

Modeling ethylene/1-butene copolymerizations in industrial slurry reactors

AG Mattos Neto, MF Freitas, M Nele… - Industrial & engineering …, 2005 - ACS Publications
In this work, a comprehensive model is developed for the ethylene/1-butene
copolymerization in an industrial slurry polymerization reactor for linear low-density …