Equation of state for the viscosity of lennard-jones fluids

AIChE Journal

Volumn 52, Issue 2, 2006, Pages 438-446

  Woodcock, Leslie V ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

Equation of state; Lennard Jones potential; Molecular dynamics; Stress correlation; Viscosity

Indexed keywords

CORRELATION METHODS; DENSITY (SPECIFIC GRAVITY); FLUID DYNAMICS; MOLECULAR DYNAMICS; OSCILLATIONS; PHASE EQUILIBRIA; THERMAL EFFECTS; VISCOSITY;

ENSKOG'S DENSITY-INDEPENDENT LIMIT; LENNARD-JONES POTENTIAL; SOFT-SPHERE SCALING LAWS; STRESS CORRELATION;

EQUATIONS OF STATE OF LIQUIDS;

CORRELATION METHODS; DENSITY (SPECIFIC GRAVITY); EQUATIONS OF STATE OF LIQUIDS; FLUID DYNAMICS; MOLECULAR DYNAMICS; OSCILLATIONS; PHASE EQUILIBRIA; THERMAL EFFECTS; VISCOSITY;

EID: 32444450683     PISSN: 00011541     EISSN: None     Source Type: Journal    
DOI: 10.1002/aic.10676     Document Type: Article

References (26)

1. Nicolas JJ, Gubbins KE. Equation of state for the Lennard-Jones fluid. Molecular Physics. 1979;37(5):1429-1454.
2. Johnson JK, Zoll weg ZA. The Lennard-Jones equation of state revisited. Molecular Physics. 1993;78(3):591-618.
3. Kolafa J, Nezbeda I. The Lennard-Jones fluid: an accurate analytic and theoretically-based equation of state. Fluid Phase Equilibria. 1994; 100:1-34.
4. Mecke M, Müller A. An accurate Van der Waals-type equation of state for the Lennard-Jones fluid. International Journal of Thermophysics. 1996;17(2):391-404.
5. Sun T, Teja AS. An equation of state for real fluids based on the Lennard-Jones potential. Journal of Physical Chemistry. 1996; 100(43):17365-17372.
6. Rowley RL, Painter MM. Diffusion and viscosity equations of state for a Lennard-Jones fluid obtained from molecular dynamics simulations. International Journal of Thermophysics. 1997;18(5):1109-1121.
7. Ashurst WT, Hoover WG. Dense fluid shear viscosity and thermal conductivity-the excess. AIChE Journal. 1975;21(2):410-411.
8. Ashurst WT, Hoover WG. Dense-Fluid shear viscosity via nonequilibrium molecular dynamics. Physical Reviews A. 1975;11(2):658-678.
9. Fokin LR, Popov VN. Analytical representation of collision integrals for the (m-6) Lennard-Jones potentials in the EPIDIF database. High Temperature. 1999;37(1):45-51.
10. Friend DG, Rainwater JC. Transport properties of a moderately dense gas. Chemical Physics Letters. 1984;107(6):590-594.
11. Rainwater JC, Friend DG. Second viscosity and thermal conductivity virial coefficients of gases: extension to low reduced temperatures. Physical Reviews A. 1987;36:4062-4066.
12. Nieto de Castro CA, Friend DG. Thermal conductivity of a moderately dense gas. Chemical Physics. 1990;145:19-26.
13. Bich E, Vogel E. The initial density dependence of transport properties: noble gases. International Journal of Thermophysics. 1991;12(1): 27-42.
14. Najafi B, Ghayeb Y. Improved initial density dependence of the viscosity and a corresponding states function for high pressures. Physica A. 1998;260:31-48.
15. Cohen EGD. The Generalization of the Boltzmann Equation to Higher Densities. Statistical Mechanics at the Turn of the Decade. New York: Marcel Dekker; 1971.
16. Vogel E, Küchenmeister C. Reference correlation of the viscosity of propane. Journal of Physical and Chemical Reference Data. 1998; 27(5):947-970.
17. Levesque D, Verlet L. "Computer Experiments" on classical fluids. IV. Transport properties and time-correlation functions of the Lennard-Jones liquid near its triple point. Physical Review A. 1973;7(5):1690-1700.
18. Heyes DM. Self-diffusion and shear viscosity of simple fluids. Journal of the Chemical Society, Faraday Transactions II. 1983;79:1741-1758.
19. Heyes DM. Some physical consequences of large shear rates on simple liquids. Journal of Chemical Physics. 1986;85(2):997-1008.
20. Heyes DM. The Liquid State: Applications of Molecular Simulations. New York: John Wiley & Sons; 1998.
21. Erpenbeck JJ. Shear viscosity of the Lennard-Jones fluid near the triple point: Green-Kubo results. Physical Review A. 1988;38:6255-6266.
22. Evans DJ, Morris GP. On the number dependence of viscosity in three-dimensional fluids. Molecular Physics. 1989;68:637-646.
23. Hoheisel C, Schoen M. The shear viscosity of a Lennard-Jones fluid calculated by equilibrium molecular dynamics. Molecular Physics. 1985;56:653-664.
24. Hoheisel, C. Bulk viscosity of model fluids: a comparison of equilibrium and nonequilibrium molecular dynamics results. Journal of Chemical Physics. 1987;86(4):2328-2333.
25. Sharma S, Woodcock LV. Interfacial viscosities via stress autocorrelation functions. Journal of the Chemical Society, Faraday Transactions I. 1991;87(13):2023-2030.
26. Meier K. Laesecke A, Kabelac A. Transport coefficients of the Lennard-Jones model fluid. I. Viscosity Journal of Chemical Physics. 2004;121(8):3671-3687.