Mechanisms of single-walled carbon nanotube network formation and its configuration in polymer-based nanocomposites

Oseli, Alen (author), Vesel, Alenka (author), Žagar, Ema (author), Slemenik Perše, Lidija (author)

The reinforcing and conductive performance of carbon nanotube polymer-based nanocomposites depends on the established network and its configuration. Within this study, we report on the underlying mechanisms of such network formation utilizing single-walled carbon nanotubes (SWCNTs) in low- and high-density polyethylene matrices. Mechanisms were theoretically evaluated through Doi-Edwards theory and experimentally confirmed through plasma etching coupled with electron microscopy as well as rheological flow tests. Results showed that the established network is constructed from SWCNT bundles, which geometrically entangle at a critical volume fraction [phi]v,crit (number of rods: [beta approximately equal to] 30). Below [phi]v,crit, the bundles behave as individual units and may align in the flow direction. Above [phi]v,crit, the rotation of bundles is constrained by neighboring units, leading to a random network configuration. Moreover, the theory successfully explains SWCNT bundle behavior as a Brownian entity and predicts network formation through diminishing thermo- and hydro-dynamically driven diffusion, which can be manipulated during the production to enhance reinforcing/conductive functionality of such materials.

• Language: English
• Keywords: nanocomposites, single-walled carbon nanotubes, network formation, molecular dynamics, Doi-Edwards theory
• Work type: Article
• Typology: 1.01 - Original Scientific Article
• Organization: FS - Faculty of Mechanical Engineering
• Publication status: Published
• Publication version: Version of Record
• Submitted for review: 04.03.2021
• Publication date: 13.04.2021
• Year: 2021
• Number of pages: Str. 3334-3346
• Numbering: Vol. 54, iss. 7
• PID: 20.500.12556/RUL-126692
• UDC: 620.168(045)
• ISSN on article: 0024-9297
• DOI: 10.1021/acs.macromol.0c02763
• COBISS.SI-ID: 58206467
• Publication date in RUL: 04.05.2021

Record is a part of a journal

• Title: Macromolecules
• Shortened title: Macromolecules
• Publisher: American Chemical Society
• ISSN: 0024-9297
• COBISS.SI-ID: 25886464

Licences

• License: CC BY 4.0, Creative Commons Attribution 4.0 International
• Link: http://creativecommons.org/licenses/by/4.0/
• Description: This is the standard Creative Commons license that gives others maximum freedom to do what they want with the work as long as they credit the author.
• Licensing start date: 13.04.2021

Secondary language

• Language: Slovenian
• Keywords: nanokompoziti, eno-stenske ogljikove nano-cevke, nastanek omrežja, molekularna dinamika, Doi-Edwards teorija

Projects

• Funder: ARRS - Slovenian Research Agency
• Project number: P2-0264
• Name: Trajnostni Polimerni materiali in Tehnologije