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Nanoscopic spontaneous motion of liquid trains: Nonequilibrium molecular dynamics simulation

Bahrami, A. H ; Sharif University of Technology

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  1. Type of Document: Article
  2. DOI: 10.1063/1.3283899
  3. Abstract:
  4. Macroscale experiments show that a train of two immiscible liquid drops, a bislug, can spontaneously move in a capillary tube because of surface tension asymmetries. We use molecular dynamics simulation of Lennard-Jones fluids to demonstrate this phenomenon for NVT ensembles in submicron tubes. We deliberately tune the strength of intermolecular forces and control the velocity of bislug in different wetting and viscosity conditions. We compute the velocity profile of particles across the tube and explain the origin of deviations from the classical parabolae. We show that the self-generated molecular flow resembles the Poiseuille law when the ratio of the tube radius to its length is less than a critical value
  5. Keywords:
  6. A-train ; Critical value ; Immiscible liquids ; Intermolecular forces ; Lennard Jones fluid ; Macro scale ; Molecular dynamics simulations ; Molecular flow ; Nonequilibrium molecular dynamics simulation ; Submicron ; Velocity profiles ; Chemical bonds ; Liquids ; Locomotives ; Molecular dynamics ; Molecular mechanics ; Railroad cars ; Surface tension ; Tubes (components)
  7. Source: Journal of Chemical Physics ; Volume 132, Issue 2 , 2010 ; 00219606 (ISSN)
  8. URL: http://aip.scitation.org/doi/10.1063/1.3283899