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Connecting the complex microstructure of LDPE to its rheology and processing properties via a combined fractionation and modelling approach

Well-defined mini-plant low density polyethylene samples were fractionated preparatively according to their crystallizability via preparative temperature rising elution fractionation and according to molecular weight via preparative solvent gradient fractionation (pSGF). Rheology of the fractions wa...

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Autores principales: Zentel, Kristina Maria, Eselem Bungu, Paul Severin, Degenkolb, Jonas, Pasch, Harald, Busch, Markus
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9042246/
https://www.ncbi.nlm.nih.gov/pubmed/35493580
http://dx.doi.org/10.1039/d1ra03749h
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author Zentel, Kristina Maria
Eselem Bungu, Paul Severin
Degenkolb, Jonas
Pasch, Harald
Busch, Markus
author_facet Zentel, Kristina Maria
Eselem Bungu, Paul Severin
Degenkolb, Jonas
Pasch, Harald
Busch, Markus
author_sort Zentel, Kristina Maria
collection PubMed
description Well-defined mini-plant low density polyethylene samples were fractionated preparatively according to their crystallizability via preparative temperature rising elution fractionation and according to molecular weight via preparative solvent gradient fractionation (pSGF). Rheology of the fractions was measured in both the small amplitude oscillatory shear (SAOS) and the non-linear extension regimes. The linear and non-linear rheology of the pTREF fractions were dominated by molecular weight effects, while the impact of the higher degree of long chain branching for the pSGF fractions with higher molecular weights was observed in van Gurp–Palmen plots and in strain hardening behavior in the extensional rheology measurements. Additionally, the experimental fractionation process was mimicked via modelling. The branching topologies of the bulk samples were obtained by coupled kinetic and Monte Carlo calculations. These topologies were fractionated computationally and the result were used to predict the rheological behavior of the individual fractions by applying the BoB algorithm with no parameter adjustment. The experimental observed trends were predicted by the model and the overall agreement was acceptable. This study demonstrates, that polymer fractionation is possible on a preparative scale and allows for the polymer flow properties characterization of the individual fractions, a method that is highly relevant during processing. Moreover, the fractionation process is followed and understood from the modelling point of view.
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spelling pubmed-90422462022-04-28 Connecting the complex microstructure of LDPE to its rheology and processing properties via a combined fractionation and modelling approach Zentel, Kristina Maria Eselem Bungu, Paul Severin Degenkolb, Jonas Pasch, Harald Busch, Markus RSC Adv Chemistry Well-defined mini-plant low density polyethylene samples were fractionated preparatively according to their crystallizability via preparative temperature rising elution fractionation and according to molecular weight via preparative solvent gradient fractionation (pSGF). Rheology of the fractions was measured in both the small amplitude oscillatory shear (SAOS) and the non-linear extension regimes. The linear and non-linear rheology of the pTREF fractions were dominated by molecular weight effects, while the impact of the higher degree of long chain branching for the pSGF fractions with higher molecular weights was observed in van Gurp–Palmen plots and in strain hardening behavior in the extensional rheology measurements. Additionally, the experimental fractionation process was mimicked via modelling. The branching topologies of the bulk samples were obtained by coupled kinetic and Monte Carlo calculations. These topologies were fractionated computationally and the result were used to predict the rheological behavior of the individual fractions by applying the BoB algorithm with no parameter adjustment. The experimental observed trends were predicted by the model and the overall agreement was acceptable. This study demonstrates, that polymer fractionation is possible on a preparative scale and allows for the polymer flow properties characterization of the individual fractions, a method that is highly relevant during processing. Moreover, the fractionation process is followed and understood from the modelling point of view. The Royal Society of Chemistry 2021-10-07 /pmc/articles/PMC9042246/ /pubmed/35493580 http://dx.doi.org/10.1039/d1ra03749h Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Zentel, Kristina Maria
Eselem Bungu, Paul Severin
Degenkolb, Jonas
Pasch, Harald
Busch, Markus
Connecting the complex microstructure of LDPE to its rheology and processing properties via a combined fractionation and modelling approach
title Connecting the complex microstructure of LDPE to its rheology and processing properties via a combined fractionation and modelling approach
title_full Connecting the complex microstructure of LDPE to its rheology and processing properties via a combined fractionation and modelling approach
title_fullStr Connecting the complex microstructure of LDPE to its rheology and processing properties via a combined fractionation and modelling approach
title_full_unstemmed Connecting the complex microstructure of LDPE to its rheology and processing properties via a combined fractionation and modelling approach
title_short Connecting the complex microstructure of LDPE to its rheology and processing properties via a combined fractionation and modelling approach
title_sort connecting the complex microstructure of ldpe to its rheology and processing properties via a combined fractionation and modelling approach
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9042246/
https://www.ncbi.nlm.nih.gov/pubmed/35493580
http://dx.doi.org/10.1039/d1ra03749h
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