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Molecular dynamics computer simulation of water flows in nanochannels

Wybrane pełne teksty z tego czasopisma
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Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
The work presents the results of the simulations of water flows through narrow channels (Poiseuille flows) performed using the molecular dynamics method, for two different channel widths (equal to 5 and 10 diameters of the water molecule) and for two different materials of the channel walls (copper and quartz). In the simulations, physical properties of the materials and their electrostatic interactions were considered. The obtained results are compared with the analytical solutions for a micropolar fluid flow taking account of the experimentally obtained rheological constants of water.
Rocznik
Strony
55--61
Opis fizyczny
Bibliogr. 23 poz., rys.
Twórcy
autor
  • Department of Fluid Mechanics and Aerodynamics, Rzeszow University of Technology, 8 Powstańców War-szawy Ave., 35-959 Rzeszow, Poland, anpieta@prz.rzeszow.pl
Bibliografia
  • [1] M. Gad-EI-Hak, "The fluid mechanics of microdevices", J. Fluids Engng. 121 (5), 1215-1233 (1999).
  • [2] K.Y. Sharp, R.J. Adrjan, J.G. Santiago. and J.I. Molho, "Liguid flows in microchannels", in Handbook of MEMS, ed. M. Gad-el-Hak, Virginia Commonwealth University, Richmond, USA, 2001.
  • [3] A.C. Eringen, "Theory of micropolar fluids", J. Math. Mech. 16 (1), 1-16, (1996).
  • [4] J. Delhommelle and D.J. Evans, "Poiseille flow of micropolar fluid", Molecular Physics 100 (17), 2857-2865 (2002).
  • [5] D.C. Rapaport, "Shear-induced order and rotation in pipe flow of short-chain molecules", Europhysics Letters 26 (6), 401-406 (1994).
  • [6] K.P. Travis and DJ. Evans, "Molecular spin in a fluid undergoing Poiseuille flow", Phys. Rev. E. 55 (2), 1566-1572 (1997).
  • [7] K.P. Travis, B.D. Todd, and D.J. Evans, "Poiseuille flow of molecular fluids", Physica A 204, 315-327 (1997).
  • [8] R.R. Reston and E.S. Kolesar, "Silicon-micromachined gas chromatography system, Part I. Design and fabrication", IEEE J. Microelectromech. Sys. 3-4, 134-142 (1994).
  • [9] H.A. Stone, A.D. Stroock, and A. Ajdart, "Engineering flows in small devices: micro-fluidics towards a lab-on-a-chip", Ann. Rev. Fluid Mechanics 36, 381-411 (2004).
  • [10] P. Tabeling, "Some basic problems of microfluidics", 14th Australian Fluid Mech. Conference 10-14 Dec. 2001, (2001).
  • [11] P. Wilding, M.A. Shoffner, and L.J. Kircka, "Manipulation and flow of biological fluids in straight channels microma chined in silicon", Clin. Chem. 40,43-47 (1994).
  • [12] P.A. Thompson and S.M. Trojan, "A general boundary condition for liquid flow at solid surfaces", Nature 389, 360-361 (1997).
  • [13] B.WH. van Beest, G.J. Kramer, R.A. van Santen, "Force fields for silicas and aluminophosphates based on ab initio calculations", Phys. Rev. Lett. 64 (16), 1955-8 (1990).
  • [14] http://www.lsbu.ac.uk/water/
  • [15] A. Kucaba-Piętal, "Microflows modelling based on micropolar fluid theory", Oficyna Wydawnicza Politechniki Rzeszowskiej, Rzeszów 2004 (in Polish).
  • [16] P. Prokhorenko, N.P. Migoun, and M.Stadthaus, Theoretical principles of liquid penetrant testing, DVS Verlag, Berlin 1999.
  • [17] K. Refson, "Moldy: a portable molecular dynamics simulation program for serial and parallel Computers Physics Communications 126 (3), 309-328 (2000).
  • [18] Metals Reference Book, 5 edition, Butterworth, London 1976.
  • [19] K.P. Travis, B.D. Todd and D.J. Evans,"Departure from Navier-Stokes hydrodynamics in confined liquids", Phys. Rev. E 55 (4), 4288-4295 (1997).
  • [20] M. Cieplak, J. Koplik, and J.R. Banavar, "Applications of statistical mechanics in subcontinuum fluid dynamics", Physica A 274, 281-293 (1999).
  • [21] M. Cieplak, J. Koplik, and J.R. Banavar, "Molecular dynamics of flows in the Knudsen regime", Physica A 287, 153-160 (2000).
  • [22] K.P. Travis and K.E. Gubbins, "Poiseuille flow of Lennard-Jones fluids in narrow slit pores", J. Chem. Phys. 112 (4), 1984-1996 (2000).
  • [23] A. Kucaba-Piętal, "Microchannels flow modelling with the micropolar fluid theory", Bull. Pol. Acad. Sci. Tech. 52 (3), 209-214 (2004).
Typ dokumentu
Bibliografia
Identyfikator YADDA
bwmeta1.element.baztech-article-BPG5-0038-0023
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