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
Mass transport and high barrier properties of foodpackaging polymers
KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Polymeric Materials.
KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Polymeric Materials.
2011 (English)In: Multi-functional and nano-reinforcedpolymers for food packaging / [ed] J M Lagarón, Cambridge: Woodhead publishing , 2011, 129-149 p.Chapter in book (Other academic)
Place, publisher, year, edition, pages
Cambridge: Woodhead publishing , 2011. 129-149 p.
Keyword [en]
transport properties, diffusivity, solubility, barrier, prediction
National Category
Polymer Chemistry
Identifiers
URN: urn:nbn:se:kth:diva-93510Scopus ID: 2-s2.0-84882850605ISBN: 978 1 84569 738 9 (print)OAI: oai:DiVA.org:kth-93510DiVA: diva2:516937
Note
QC 20120420Available from: 2012-04-20 Created: 2012-04-20 Last updated: 2012-04-23Bibliographically approved
In thesis
1. Simulations of Semi-Crystalline Polymers and Polymer Composites in order to predict Electrical, Thermal, Mechanical and Diffusion Properties
Open this publication in new window or tab >>Simulations of Semi-Crystalline Polymers and Polymer Composites in order to predict Electrical, Thermal, Mechanical and Diffusion Properties
2012 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Several novel computer simulation models were developed for predicting electrical, mechanical, thermal and diffusion properties of materials with complex microstructures, such as composites, semi-crystalline polymers and foams.

A Monte Carlo model for simulating solvent diffusion through spherulitic semicrystalline polyethylene was developed. The spherulite model, based on findings by electron microscopy, could mimic polyethylenes with crystallinities up to 64 wt%. Due to the dendritic structure of the spherulites, the diffusion was surprisingly independent of the aspect ratio of the individual crystals. A correlation was found between the geometrical impedance factor (τ) and the average free path length of the penetrant molecules in the amorphous phase. A new relationship was found between volume crystallinity and τ. The equation was confirmed with experimental diffusivity data for Ar, CH4, N2 and n-hexane in polyethylene.

For electrostatics, a novel analytical mixing model was formulated to predict the effective dielectric permittivity of 2- and 3-component composites. Results obtained with the model showed a clearly better agreement with corresponding finite element data than previous models. The analytical 3-component equation was in accordance with experimental data for nanocomposites based on mica/polyimide and epoxy/ hollow glass sphere composites. Two finite element models for composite electrostatics were developed.

It is generally recognized that the fracture toughness and the slow crack growth of semicrystalline polymers depend on the concentrations of tie chains and trapped entanglements bridging adjacent crystal layers in the polymer. A Monte Carlo simulation method for calculating these properties was developed. The simulations revealed that the concentration of trapped entanglements is substantial and probably has a major impact on the stress transfer between crystals. The simulations were in accordance with experimental rubber modulus data.

A finite element model (FEM) including diffusion and heat transfer was developed for determining the concentration of gases/solutes in polymers. As part of the FEM model, two accurate pressure-volume-temperature (PVT) relations were developed. To predict solubility, the current "state of the art" model NELF was improved by including the PVT models and by including chemical interactions using the Hansen solubility parameters. To predict diffusivity, a novel free-volume diffusion model was derived based on group contribution methods. All the models were used without adjustable parameters and gave results in agreement with experimental data, including recent data obtained for polycarbonate and poly(ether-etherketone) pressurized with nitrogen at 67 MPa.

Place, publisher, year, edition, pages
Stockholm: KTH Royal Institute of Technology, 2012. 59 p.
Series
Trita-CHE-Report, ISSN 1654-1081 ; 2012:15
National Category
Polymer Chemistry
Identifiers
urn:nbn:se:kth:diva-93519 (URN)978-91-7501-290-2 (ISBN)
Public defence
2012-04-20, F2,, Lindstedtsvägen 28, entréplan, KTH, Stockholm, 10:00 (English)
Opponent
Supervisors
Note
QC 20120420Available from: 2012-04-20 Created: 2012-04-20 Last updated: 2012-04-23Bibliographically approved

Open Access in DiVA

No full text

Scopus

Search in DiVA

By author/editor
Nilsson, FritjofHedenqvist, Mikael
By organisation
Polymeric Materials
Polymer Chemistry

Search outside of DiVA

GoogleGoogle Scholar

isbn
urn-nbn

Altmetric score

isbn
urn-nbn
Total: 65 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