Molecular Dynamics Simulation of Binary Fluid in a Nanochannel

Journal Article · Mon Dec 12 00:00:00 EST 2011 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.3653622· OSTI ID:21612365

Mullick, Shanta; Ahluwalia, P K ^[1]; Pathania, Y ^[2]

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1. Department of Physics, Himachal Pradesh University, SummerHill, Shimla - 171005 (India)
2. Chitkara University, Atal Shiksha Kunj, Atal Nagar, Barotiwala, Dist Solan, Himachal Pradesh - 174103 (India)

This paper presents the results from a molecular dynamics simulation of binary fluid (mixture of argon and krypton) in the nanochannel flow. The computational software LAMMPS is used for carrying out the molecular dynamics simulations. Binary fluids of argon and krypton with varying concentration of atom species were taken for two densities 0.65 and 0.45. The fluid flow takes place between two parallel plates and is bounded by horizontal walls in one direction and periodic boundary conditions are imposed in the other two directions. To drive the flow, a constant force is applied in one direction. Each fluid atom interacts with other fluid atoms and wall atoms through Week-Chandler-Anderson (WCA) potential. The velocity profile has been looked at for three nanochannel widths i.e for 12{sigma}, 14{sigma} and 16{sigma} and also for the different concentration of two species. The velocity profile of the binary fluid predicted by the simulations agrees with the quadratic shape of the analytical solution of a Poiseuille flow in continuum theory.

• OSTI ID: 21612365
• Journal Information: AIP Conference Proceedings, Vol. 1393, Issue 1; Conference: ICACNM-2011: International conference on advances in condensed and nano materials, Chandigarh (India), 23-26 Feb 2011; Other Information: DOI: 10.1063/1.3653622; (c) 2011 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ANALYTICAL SOLUTION
ARGON
ATOMS
BOUNDARY CONDITIONS
COMPUTERIZED SIMULATION
KRYPTON
L CODES
LAMINAR FLOW
MIXTURES
MOLECULAR DYNAMICS METHOD
PERIODICITY
PLATES
POTENTIALS
VELOCITY
VISCOSITY
CALCULATION METHODS
COMPUTER CODES
DISPERSIONS
ELEMENTS
FLUID FLOW
FLUIDS
GASES
MATHEMATICAL SOLUTIONS
NONMETALS
RARE GASES
SIMULATION
VARIATIONS