Molecular dynamics simulation of nanoparticle diffusion in dense fluids

Microfluidics and Nanofluidics

Volumn 11, Issue 4, 2011, Pages 501-506

  Rudyak, Valery Ya ^a   Krasnolutskii, Sergey L ^a   Ivanov, Denis A ^a  

^a NOVOSIBIRSK STATE UNIVERSITY OF ARCHITECTURE AND CIVIL ENGINEERING SIBSTRIN   (Russian Federation)

Author keywords

Diffusion coefficient; Nanofluid; Nanoparticle; Temperature dependence; Velocity autocorrelation function

Indexed keywords

BROWNIAN PARTICLES; CARRIER FLUIDS; DENSE FLUID; DENSE GAS; EINSTEIN RELATIONS; LENNARD-JONES POTENTIAL; MOLECULAR DYNAMICS SIMULATIONS; NANO-FLUID; NANOPARTICLE MATERIALS; TEMPERATURE DEPENDENCE; VELOCITY AUTOCORRELATION FUNCTION; VELOCITY AUTOCORRELATION FUNCTIONS;

AUTOCORRELATION; DIFFUSION; DYNAMICS; KINETIC THEORY OF GASES; MOLECULAR MECHANICS; NANOFLUIDICS; NANOPARTICLES; REGRESSION ANALYSIS;

MOLECULAR DYNAMICS;

EID: 84855953042     PISSN: 16134982     EISSN: 16134990     Source Type: Journal    
DOI: 10.1007/s10404-011-0815-4     Document Type: Article

References (19)

1. Kato T, Kikuchi K, Achiba YJ (1993) Measurement of the selfdiffusion coefficient of C60 in benzene-D6 using 13C pulsedgradient spin echo. Phys Chem 97:10251-10253
2. McPhie MG, Daivis PJ, Snook IK (2006) Viscosity of a binary mixture: approach to the hydrodynamic limit. Phys Rev E 74:031201
3. Nuevo MJ, Morales JJ (1998) Mass dependence of isotope selfdiffusion by molecular dynamics. Phys Rev E 51:2026-2032
4. Ould-Kaddour F, Levesque D (2007) Diffusion of nanoparticles in dense fluids. J Chem Phys 127:154514
5. Pozhar LA (2000) Structure and dynamics of nanofluids: theory and simulations to calculate viscosity. Phys Rev E 61:1432-1446
6. Rapaport DC (2005) The art of molecular dynamics simulation. Cambridge University Press, Cambridge
7. Reid RC, Prausnitz JM, Poling BE (1987) The properties of gases and liquids. McGraw-Hill Book Company, New York
8. Rudyak VYa, Krasnolutskii SL (1999) The interaction potential of dispersed particles with carrier gas molecules. In: Proceedings of the 21st international symposium on rarefied gas dynamics, vol 1. Cépadués- É ditions, Toulouse, pp 263-270
9. Rudyak VYa, Krasnolutskii SL (2001) Kinetic description of nanoparticle diffusion in rarefied gas. Dokl Phys 46:897-899
10. Rudyak VYa, Krasnolutskii SL (2002) Diffusion of nanoparticles in a rarefied gas. Tech Phys 47(7):807-813
11. Rudyak VYa, Krasnolutskii SL (2003) On the viscosity of rarefied gas suspensions containing nanoparticles. Dokl Phys 48:583-586 (Pubitemid 37496401)
12. Rudyak VYa, Kharlamov GV, Belkin AA (2000) The velocity autocorrelation function of nanoparticles in a hard-sphere molecular system. Tech Phys Lett 26(7):553-556
13. Rudyak VYa, Kharlamov GV, Belkin AA (2001) Diffusion of nanoparticle and macromolecules in dense gases and liquids. High Temp 39(2):264-271 (Pubitemid 33760860)
14. Rudyak VYa et al (2002) Methods of measuring the diffusion coefficient and sizes of nanoparticles in a rarefied gas. Dokl Phys 47(10):758-761
15. Rudyak VYa et al (2008a) Simulation of transport processes by the molecular dynamics method. Self-diffusion coefficient. High Temp 46(1):30-39
16. Rudyak VYa, Krasnolutskii SL, Ivashchenko EN (2008b) Influence of the physical properties of the material of nanoparticles on their diffusion in rarefied gases. J Eng Phys Thermophys 81:520-524
17. Rudyak VYa, Dubtsov SN, Baklanov AM (2009) Measurements of the temperature dependent diffusion coefficient of nanoparticles in the range of 295-600 K at atmospheric pressure. J Aerosol Sci 40:833-843
18. Schofield P (1973) Computer simulation studies of the liquid state. Comput Phys Comm 5:17-23
19. Tuteja A, Mackay ME (2007) Breakdown of the continuum Stokes-Einstein relation for nanoparticle diffusion. Nano Lett 7(5): 1276-1281 (Pubitemid 46834408)