0

Full Content is available to subscribers

Subscribe/Learn More  >

Molecular Dynamics Simulation of Injection Flow in a Nano-Meter Syringe by Consideration of Extra Pairwise Interactions for Positive and Negative Ions

[+] Author Affiliations
Cunkui Huang, Kumar Nandakumar, Daniel Y. Kwok

University of Alberta, Edmonton, AB, Canada

Paper No. ICMM2005-75211, pp. 635-640; 6 pages
doi:10.1115/ICMM2005-75211
From:
  • ASME 3rd International Conference on Microchannels and Minichannels
  • ASME 3rd International Conference on Microchannels and Minichannels, Part B cont’d
  • Toronto, Ontario, Canada, June 13–15, 2005
  • Conference Sponsors: Nanotechnology Institute
  • ISBN: 0-7918-4185-5 | eISBN: 0-7918-3758-0
  • Copyright © 2005 by ASME

abstract

The average concentration of ions in a liquid depends on the size of a channel if the charges on solid surface do not change. The relation between them is that the concentration of ions is inversely proportional to the channel size. When a channel decreases from a micro to a nano size, the concentration of ions will increase 1000 times. In this case, the ion’s distribution in liquid may not be considered as dilute if the charges on solid surface is large, and interactions among ions have to take into account. In this paper, molecular dynamics is applied to study the effect of extra-pairs of positive/negative ions on liquid transport properties in a nano syringe under a constant injection flow rate boundary condition. In simulations, the Coulomb’s law and 12-6 Lennard-Jones potential are used to govern the interaction between ion-ion, ion-liquid, ion-solid, liquid-liquid and liquid-solid molecules. Four different cases (no ions, counter-ions, and counter-ions combining with small and large extra-pairs of positive/negative ions in liquid) are carried out. The non-equilibrium molecular dynamics (NEMD) simulation results show that the concentration of extra-pairs of positive/negative ions has significant influence on liquid velocity profile and ion distributions. For liquid flow without ions, a quasi-parabolic velocity distribution was obtained. When the counter-ions and extra-pairs of positive/negative ions are considered, the flow approaches a plug flow as the number of extra-pair of ions increases. We also found that charges in liquid do not follow the Poisson-Boltzmann distribution, especially for the net charges which have a valley located at about 1.5 molecular sizes away from the solid surface.

Copyright © 2005 by ASME

Figures

Tables

Interactive Graphics

Video

Country-Specific Mortality and Growth Failure in Infancy and Yound Children and Association With Material Stature

Use interactive graphics and maps to view and sort country-specific infant and early dhildhood mortality and growth failure data and their association with maternal

NOTE:
Citing articles are presented as examples only. In non-demo SCM6 implementation, integration with CrossRef’s "Cited By" API will populate this tab (http://www.crossref.org/citedby.html).

Some tools below are only available to our subscribers or users with an online account.

Related Content

Customize your page view by dragging and repositioning the boxes below.

Related eBook Content
Topic Collections

Sorry! You do not have access to this content. For assistance or to subscribe, please contact us:

  • TELEPHONE: 1-800-843-2763 (Toll-free in the USA)
  • EMAIL: asmedigitalcollection@asme.org
Sign In