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* Author for corresponding; e-mail address: thanyada.r@chula.ac.th; supot.h@chula.ac.th
Volume: Vol.46 No.3 (May 2019)
Research Article
DOI:
Received: 9 October 2018, Revised: -, Accepted: 6 December 2018, Published: -
Citation: Panman W., Mahalapbutr P., Saengsawang O., Rungnim C., Kungwan N., Rungrotmongkol T., et al., Conjugated Biopolymer-assisted the Binding of Polypropylene Toward Single-walled Carbon Nanotube:A Molecular Dynamics Simulation, Chiang Mai Journal of Science, 2019; 46(3): 547-557.
Abstract
Nowadays 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.