Title

Molecular Dynamics Simulations Of Functionalized Carbon Nanofiber-Based Epoxy Nanocomposites

Keywords

Diffusion; Interface; Molecular dynamics simulation; Nanocomposites

Abstract

The discovery of carbon nanotubes and carbon nanofibers has created a significant opportunity to develop a new generation of composites - "Molecular Composites". However, significant challenges in the development of such composites lie in the poor dispersion of carbon nanofibers into polymer resins, weak interfacial bonding between carbon nanofibers and polymer resins, and high viscosity of the nanofiber-reisn mixture. At current stage, the effect of chemical functionalization on the dispersabilty of carbon nanofibers in polymer resins and the properties of the resulting nanocomposites remains unclear. Understanding the chemistry of functionalized carbon nanofibers is a crucial step towards their potential use in nanocomposites. The interaction between carbon nanofibers and polymer resins is highly dependent on their local molecular structure. At such a small scale, the lattice structures of carbon nanofiber and polymer chains cannot be considered continuous. In this work, the effects of covalent chemical functional groups on the molecular interactions between vapor grown carbon nanofibers and polymer resins have been studied by using molecular dynamics simulations. The simulation results provide fundamental information for the rational functionalization of carbon nanofibers to manipulate their nanoscale properties in a predicative manner.

Publication Date

12-1-2007

Publication Title

International SAMPE Technical Conference

Number of Pages

-

Document Type

Article; Proceedings Paper

Personal Identifier

scopus

Socpus ID

80053822106 (Scopus)

Source API URL

https://api.elsevier.com/content/abstract/scopus_id/80053822106

This document is currently not available here.

Share

COinS