Molecular dynamics simulation of single-chain polystyrene adsorbed on the graphite surface

Li Zhao*, Hua Yang, Zhuo Li, Ze Sheng Li, Chia Chung Sun

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)

Abstract

A molecular dynamics simulation was used to investigate the adsorption of single-chain polystyrene on the graphite surface. The results show that the structures of the adsorbed PS are usually elongated in shape rather than circular from the top view; there is an exponent relationship between the component of the mean square radius of gyration parallel to the surface and the number of monomers, and the exponent obtained is about 1.04; the main driving force is the van der Waals force between chain segment and surface.

Original languageEnglish
Pages (from-to)1340-1342
Number of pages3
JournalKao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities
Volume27
Issue number7
Publication statusPublished - Jul 2006
Externally publishedYes

Keywords

  • Adsorption
  • Graphite surface
  • Molecular dynamics simulation
  • Polystyrene

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