CHIANG MAI JOURNAL OF SCIENCEVolume 46, No. 03, Month MAY, Year 2019, Pages 547 - 557
Conjugated biopolymer-assisted the binding of polypropylene toward single-walled carbon nanotube: a molecular dynamics simulation
Wanwisa Panman, Panupong Mahalapbutr, Oraphan Saengsawang, Chompoonut Rungnim, Nawee Kungwan, Thanyada Rungrotmongkol and Supot Hannongbua
Abstract Download PDFNowadays the nanocomposite materials have shown to be the key applications in a
wide range of industries due to their unique properties such as thermal and electrical properties.
Polymer/carbon nanotube (CNT) nanocomposite is one of interesting nanocomposite materials
manufactured for improving mechanical, thermal and electrical properties of polymer.
Unfortunately, polypropylene (PP)/CNT preparation is difficult because of CNT dispersion
and aggregation. In this study, amylose (AMY) and chitosan (CS) are selected in order to study
how biopolymer could diminish such problems by non-covalent modification on outer surface
of single-walled CNT using molecular dynamics (MD) simulations. The results reveal that AMY
can induce the atactic, isotactic and syndiotactic PPs contacting with CNT exterior surface in
spiral-shape, while these PPs are aligned in snake-shape by CS modification instead. Additionally,
electrostatic force is the main interaction for a complexation of CNT/biopolymer/PPs.
nanocomposite materials, carbon nanotube, amylose, polypropylenes, molecular dynamics simulation