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Title: Molecular dynamic simulation of Ar-Kr mixture across a rough walled nanochannel: Velocity and temperature profiles

This paper presents the results from a molecular dynamics simulation of mixture of argon and krypton in the Poiseuille flow across a rough walled nanochannel. The roughness effect on liquid nanoflows has recently drawn attention The computational software used for carrying out the molecular dynamics simulations is LAMMPS. The fluid flow takes place between two parallel plates and is bounded by horizontal rough walls in one direction and periodic boundary conditions are imposed in the other two directions. Each fluid atom interacts with other fluid atoms and wall atoms through Leenard-Jones (LJ) potential with a cut off distance of 5.0. To derive the flow a constant force is applied whose value is varied from 0.1 to 0.3 and velocity profiles and temperature profiles are noted for these values of forces. The velocity profile and temperature profiles are also looked at different channel widths of nanochannel and at different densities of mixture. The velocity profile and temperature profile of rough walled nanochannel are compared with that of smooth walled nanochannel and it is concluded that mean velocity increases with increase in channel width, force applied and decrease in density also with introduction of roughness in the walls of nanochannel mean velocitymore » again increases and results also agree with the analytical solution of a Poiseuille flow.« less
Authors:
;  [1] ;  [2]
  1. Department. of Physics, Himachal Pradesh University, Shimla, H. P., 171005 (India)
  2. GGDSD College Sec-32-C Chandigarh (India)
Publication Date:
OSTI Identifier:
22391768
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1661; Journal Issue: 1; Conference: ICCMP 2014: International Conference on Condensed Matter Physics 2014, Shimla (India), 4-6 Nov 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ANALYTICAL SOLUTION; ARGON; BOUNDARY CONDITIONS; COMPARATIVE EVALUATIONS; COMPUTERIZED SIMULATION; KRYPTON; L CODES; LAMINAR FLOW; LENNARD-JONES POTENTIAL; LIQUIDS; MIXTURES; MOLECULAR DYNAMICS METHOD; PERIODICITY; PLATES; ROUGHNESS; VELOCITY