Interaction of nanoparticles with ideal liquid-liquid interfaces

David Cheung, Stefan A.F. Bon

Research output: Contribution to journalArticle

58 Citations (Scopus)

Abstract

Using molecular simulations the interaction between a noncharged nanoparticle and an ideal liquid-liquid interface is studied. The free energy profile as function of nanoparticle-interface separation is determined using Wang-Landau sampling. Comparison between the simulation results and macroscopic theories shows that the latter give a poor description of the free energy profile. In particular, they underestimate both the range of interaction between the particle and the interface and its strength, with the discrepancy lessening as the particle radius increases. On increasing the solvent chemical potential the interaction strength increases and the interaction range decreases due to the increase in interfacial tension and consequent decrease in interfacial width.
LanguageEnglish
Article number066103
Number of pages4
JournalPhysical Review Letters
Volume102
Issue number6
DOIs
Publication statusPublished - 13 Feb 2009

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liquid-liquid interfaces
nanoparticles
free energy
interactions
profiles
interfacial tension
simulation
sampling
radii

Keywords

  • nanoparticle
  • Monte Carlo simulation
  • noncharged nanoparticle
  • liquid-liquid interface

Cite this

Cheung, David ; Bon, Stefan A.F. / Interaction of nanoparticles with ideal liquid-liquid interfaces. In: Physical Review Letters. 2009 ; Vol. 102, No. 6.
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Interaction of nanoparticles with ideal liquid-liquid interfaces. / Cheung, David; Bon, Stefan A.F.

In: Physical Review Letters, Vol. 102, No. 6, 066103, 13.02.2009.

Research output: Contribution to journalArticle

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T1 - Interaction of nanoparticles with ideal liquid-liquid interfaces

AU - Cheung, David

AU - Bon, Stefan A.F.

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AB - Using molecular simulations the interaction between a noncharged nanoparticle and an ideal liquid-liquid interface is studied. The free energy profile as function of nanoparticle-interface separation is determined using Wang-Landau sampling. Comparison between the simulation results and macroscopic theories shows that the latter give a poor description of the free energy profile. In particular, they underestimate both the range of interaction between the particle and the interface and its strength, with the discrepancy lessening as the particle radius increases. On increasing the solvent chemical potential the interaction strength increases and the interaction range decreases due to the increase in interfacial tension and consequent decrease in interfacial width.

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KW - Monte Carlo simulation

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DO - 10.1103/PhysRevLett.102.066103

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JO - Physical Review Letters

T2 - Physical Review Letters

JF - Physical Review Letters

SN - 0031-9007

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