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Original Articles

Shear viscosity and thermal conductivity of quadrupolar real fluids from molecular simulation

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Pages 787-793 | Published online: 12 Apr 2011

References

  • McCabe , C. , Cui , S. , Cummings , P.T. , Gordon , P.A. and Saeger , R.B. 2001 . Examing the rheology of 9-octylheptadecane to giga-pascal pressure . J. Chem. Phys. , 114 : 1887
  • Evans , D.J. and Morris , G.P. 1990 . “ Chapter 6 ” . In Statistical Mechanics of Nonequilibrium Liquids , London : Academic Press .
  • Sarman , S.S. , Evans , D.J. and Cummings , P.T. 1998 . Recent developments in non-Newtonian molecular dynamics . Phys. Rep. , 305 : 1
  • Tood , B.D. 2001 . Computer simulation of simple and complex atomistic fluids by nonequilibrium molecular dynamics techniques . Comp. Phys. Commun. , 142 : 14
  • Alder , B.J. and Wainwright , T.E. 1967 . Decay of the velocity autocorrelation function . Phys. Rev. A , 1 : 18
  • Green , M.S. 1954 . Markoff random processes and the statistical mechanics of the time–dependent phenomena II. Irreversible processes in fluids . J. Chem. Phys. , 22 : 398
  • Kubo , R. 1957 . Statistical–mechanical theory of irreversible processes I . J. Phys. Soc. Jpn , 12 : 570
  • Holian , B.L. and Evans , D.J. 1983 . Shear viscosity away from the melting line: A comparison of equilibrium and nonequilibrium molecular dynamics . J. Chem. Phys. , 78 : 5147
  • Erpenbeck , J.J. 1987 . Comparison of Green–Kubo and nonequilibrium calculations of the self-diffusion constant of a Lennard–Jones fluid . Phys. Rev. A , 35 : 218
  • Cui , S.T. , Cummings , P.T. and Cochran , H.D. 1998 . The calculation of viscosity of liquid n-decane and n-hexadecane by the Green–Kubo methods . Mol. Phys. , 93 : 117
  • Fernández , G.A. , Vrabec , J. and Hasse , H. 2004 . Self diffusion and binary Maxwell–Stefan diffusion in simple fluids with the Green–Kubo method . Int. J. Thermophys. , 25 : 175
  • Fernández , G.A. , Vrabec , J. and Hasse , H. 2004 . A molecular simulation study of shear and bulk viscosity and thermal conductivity of simple real fluids . Fluid Phase Equilibria , 221 : 157
  • Fernández , G.A. , Vrabec , J. and Hasse , H. 2005 . Self-diffusion and binary Maxwell–Stefan diffusion coefficients of quadrupolar real fluids from molecular simulation . Int. J. Thermophys. , accepted
  • Cheung , P.S.Y. and Powles , J.G. 1975 . The properties of liquid nitrogen IV. A computer simulation . Mol. Phys. , 30 : 921
  • Vogelsang , R. and Hoheisel , C. 1987 . Comparison of various potential models for the simulation of pressure of liquid and fluid N2 . Phys. Chem. Liquids , 16 : 189
  • Hoheisel , C. 1987 . Pair and singlet translational and rotational diffusion in liquid model N2 . Mol. Phys. , 62 : 239
  • Vrabec , J. , Stoll , J. and Hasse , H. 2001 . A set of molecular models for symmetric quadrupolar fluids . J. Phys. Chem. B , 105 : 12126
  • Vrabec , J. , Kedia , G.K. and Hasse , H. 2005 . Prediction of Joule–Thomson inversion curves for pure fluids and one mixture by molecular simulation . Cryogenics , 45 : 253
  • Alder , B.J. , Gass , D.M. and Wainwright , T.E. 1970 . Studies in molecular dynamics VIII. The transport coefficients of hard-sphere fluid . J. Chem. Phys. , 53 : 3813
  • Gray , C.G. and Gubbins , K.E. 1984 . Theory of Molecular Fluids, Vol. 1: Fundamentals , 83 Oxford : Clarendon Press .
  • Baron , A.F.M. 1974 . The Dynamic Liquid State , 23 – 24 . London : Longman .
  • Gubbins , K.E. 1972 . Statistical Mechanics vol. 1 , Edited by: Singer , K. 194 – 253 . London : The Chemical Society Burlington House .
  • Steele , W.A. 1969 . Transport Phenomena in Fluids , Edited by: Hanley , H.J.M. 209 – 312 . New York and London : Marcel Dekker .
  • Evans , D.J. and Streett , W.B. 1978 . Transport properties of homonuclear diatomics II. Dense fluids . Mol. Phys. , 36 : 161
  • Lustig , R. 1988 . Angle-average for the powers of the distance between two separated vectors . Mol. Phys. , 65 : 175
  • Haile , J.M. 1997 . Molecular Dynamics Simulation , 160 – 163 . New York : John Wiley & Sons .
  • Andersen , H.C. 1980 . Molecular dynamics simulation of constant pressure and/or temperature . J. Chem. Phys. , 72 : 2384
  • Fincham , D. , Quirke , N. and Tildesley , D.J. 1986 . Computer simulation of molecular liquid mixtures. I A diatomic Lennard–Jones model mixture for CO2/C2H6 . J. Chem. Phys. , 84 : 4535
  • Lemmon , E.W. , McLinden , M.O. and Huber , M.L. 2002 . Standard reference Database 23 . REFPROP , (NIST, Version 7.0)
  • Haynes , W.M. 1974 . Mesurement of the viscosity of compressed and gaseous and liquid fluorine . Physica , 76 : 1
  • Levesque , D. , Verlet , L. and Kürkijarvi , J. 1973 . Computer experiment on classical fluids IV. Transport properties and time-correlation functions of the Lennard–Jones liquid near its triple point . Phys. Rev. A , 7 : 1690
  • Shoen , M. and Hoheisel , C. 1985 . The shear viscosity of the Lennard–Jones fluid . Mol. Phys. , 56 : 653
  • Case , F. , Chaka , A. , Friend , D.G. , Frurip , D. , Golab , J. , Russel , J. , Moore , J. , Mountain , R.D. , Olson , J. , Schiller , M. and Store , J. 2004 . The first industrial fluid properties simulation challenge . Fluid Phase Equilibria , 217 : 1
  • Chapman , S. and Cowling , T.G. 1970 . The Mathematical Theory of Non-uniform Gases , Cambridge : Cambridge University Press .
  • NIST Chemistry WebBook http://webbook.nist.gov/chemistry (http://webbook.nist.gov/chemistry.s)

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