Monte Carlo simulation of cavitation in pores with nonwetting defects

Christopher J. Rasmussen, Gennady Yu Gor, Alexander V. Neimark

Research output: Contribution to journalArticlepeer-review

18 Scopus citations

Abstract

We investigate the onset of cavitation in a metastable fluid confined to nanoscale pores with nonwetting defects present. Using grand canonical and gauge cell mesocanonical Monte Carlo simulations, we study the degree of metastability (relative vapor pressure), at which the critical bubble forms in a spherical pore with a circular nonwetting defect. It is shown that an increase of the defect size leads to a transition from homogeneous to heterogeneous nucleation of critical bubbles formed at the defect site. In this case, the desorption process may be initiated at larger relative vapor pressures than those predicted by the theories of homogeneous cavitation.

Original languageEnglish (US)
Pages (from-to)4702-4711
Number of pages10
JournalLangmuir
Volume28
Issue number10
DOIs
StatePublished - Mar 13 2012
Externally publishedYes

All Science Journal Classification (ASJC) codes

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

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