Understanding nanoparticle diffusion and exploring interfacial nanorheology using molecular dynamics simulations

Yanmei Song, Mingxiang Luo, Lenore Dai

Research output: Contribution to journalArticle

40 Citations (Scopus)

Abstract

We have studied the dynamics of nanoparticles at polydimethylsiloxane (PDMS) oil-water interfaces using molecular dynamics (MD) simulations. The diffusion of nanoparticles in pure water and low-viscosity PDMS oil is found to be reasonably consistent with the prediction by the Stokes-Einstein equation. In addition, we have calculated the shear moduli and viscosities of bulk oil and water, as well as oil-water interfaces from single nanoparticle tracking and demonstrated the potential of probing nanorheology from an MD simulation approach. Surprisingly, we found that the lateral diffusion of nanoparticles as well as apparent interfacial nanorheology at the PDMS oil (low viscosity)-water interface are independent of the position of the nanoparticle at the interface.

Original languageEnglish (US)
Pages (from-to)5-9
Number of pages5
JournalLangmuir
Volume26
Issue number1
DOIs
StatePublished - Jan 5 2010

Fingerprint

Molecular dynamics
Oils
oils
molecular dynamics
Nanoparticles
Polydimethylsiloxane
nanoparticles
Water
Computer simulation
water
viscosity
simulation
Viscosity
Shear viscosity
Einstein equations
Interfaces (computer)
Elastic moduli
shear
predictions
baysilon

ASJC Scopus subject areas

  • Electrochemistry
  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Materials Science(all)
  • Spectroscopy

Cite this

Understanding nanoparticle diffusion and exploring interfacial nanorheology using molecular dynamics simulations. / Song, Yanmei; Luo, Mingxiang; Dai, Lenore.

In: Langmuir, Vol. 26, No. 1, 05.01.2010, p. 5-9.

Research output: Contribution to journalArticle

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