Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Simulation of semi-crystalline polyethylene: Effect of short-chain branching on tie chains and trapped entanglements
KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.ORCID iD: 0000-0001-8153-2778
KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology. Columbia University, United States.
KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
Show others and affiliations
2015 (English)In: Polymer, ISSN 0032-3861, E-ISSN 1873-2291, Vol. 72, 177-184 p.Article in journal (Refereed) Published
Abstract [en]

A Monte-Carlo simulation method for assessing the tie chain and trapped entanglement concentration in linear polyethylene was extended to enable the simulation of explicitly branched polyethylene. A subroutine was added to the model making possible the incorporation of different branch lengths and distributions. In addition, the microstructure of branched polyethylene was considered to be made of lamellar stacks of different thicknesses, acknowledging the segregation phenomenon during crystallization. Also, based on complete exclusion of bulky branches from the crystal lattice, a 'pull-out' mechanism was developed for the relaxation of branched parts of polyethylene chains in the vicinity of the crystal layer. Simulations of two series of real polyethylene samples showed the effect of short-chain branching on the concentrations of tie chains and trapped entanglements. Introducing a few branches to an unbranched polyethylene increased the concentration of inter-lamellar connections significantly. This effect decayed if the number of branches was further increased. The tracking of the position of all the carbon atoms during the crystallization process was implemented in the model, making the average square end-to-end distance < r(2) > of polyethylene chains calculable. Simulation of chains with the same molar mass but with different branch contents showed a reduction in the average end-to-end distance with increased branching. The use of real molar mass distribution data was also added to the model features.

Place, publisher, year, edition, pages
2015. Vol. 72, 177-184 p.
Keyword [en]
Polyethylene, Branches, Segregation, Tie chains, Trapped entanglements, Radius of gyration, Simulation
National Category
Polymer Technologies
Identifiers
URN: urn:nbn:se:kth:diva-173260DOI: 10.1016/j.polymer.2015.07.008ISI: 000359649300021Scopus ID: 2-s2.0-84937797000OAI: oai:DiVA.org:kth-173260DiVA: diva2:853240
Note

QC 20150911

Available from: 2015-09-11 Created: 2015-09-09 Last updated: 2017-12-04Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textScopus

Authority records BETA

Moyassari, Ali

Search in DiVA

By author/editor
Moyassari, AliMostafavi, HakhamaneshHedenqvist, Mikael S.Gedde, Ulf W.Nilsson, Fritjof
By organisation
Fibre and Polymer Technology
In the same journal
Polymer
Polymer Technologies

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 136 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf