Multiscale modeling of nanoflows

G. Drazer, A. Acrivos, Boris Khusid, J. Koplik

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

We consider the possibility of using a quasi-equilibrium approximation for multi-scale simulations of the transport of a closely fitting nanometer-size solid sphere through a fluid-filled cylindrical nanochannel (Phys. Rev. Lett. 89, 244501, 2002). To this end, by means of molecular dynamics simulations, we compute the force acting on the sphere slowly approaching the wall and then receding to its original position at the center of the tube. We find that the effective free-energy of the system exhibits substantial hysteresis as a function of the radial position of the particle. This clearly indicates that the multiscale description of the system should include an additional order parameter or reaction coordinate. For example, the number of fluid molecules inside the gap, which shows hysteretic behavior similar to that of the effective free-energy, may perhaps be used as such a parameter.

Original languageEnglish (US)
Title of host publication2005 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2005 Technical Proceedings
EditorsM. Laudon, B. Romanowicz
Pages587-588
Number of pages2
StatePublished - Dec 1 2005
Event2005 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2005 - Anaheim, CA, United States
Duration: May 8 2005May 12 2005

Publication series

Name2005 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2005 Technical Proceedings

Other

Other2005 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2005
CountryUnited States
CityAnaheim, CA
Period5/8/055/12/05

All Science Journal Classification (ASJC) codes

  • Engineering(all)

Keywords

  • Adsorption
  • Hysteresis
  • Multiscale
  • Nanochannel
  • Nanoflow

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