79
Views
4
CrossRef citations to date
0
Altmetric
Original Articles

Molecular simulation of the thermophysical properties of fluids: phase behaviour and transport properties

Pages 185-189 | Received 01 Nov 2005, Accepted 01 Jan 2006, Published online: 31 Jan 2007

References

  • Wei , Y.S. and Sadus , R.J. 2000 . Equations of state for the calculation of fluid-phase equilibria . AIChE J. , 46 : 169
  • Sadus , R.J. 1999 . Molecular Simulation of Fluids: Theory, Algorithms and Object-Orientation , Amsterdam : Elsevier .
  • Marcelli , G. and Sadus , R.J. 1999 . Molecular simulation of the phase behaviour of noble gases using accurate two-body and three-body intermolecular potentials . J. Chem. Phys. , 111 : 1520
  • Marcelli , G. , Todd , B.D. and Sadus , R.J. 2001 . Analytic dependence of the pressure and energy of an atomic fluid under shear . Phys. Rev. E , 63 : 021204
  • Liu , M.S. , Todd , B.D. and Sadus , R.J. 2003 . Kinetics and chemomechanical properties of the F1-ATPase molecular motor . J. Chem. Phys. , 118 : 9890
  • Anta , J.A. , Lomba , E. and Lombardero , M. 1997 . Influence of three-body forces on the gas-liquid coexistence of simple fluids: the phase equilibrium of argon . Phys. Rev. E , 55 : 2707
  • Bukowski , R. and Szalewicz , K. 2001 . Complete ab initio three-body nonadditive potential in Monte Carlo simulations of vapor-liquid equilibria and pure phases of argon . J. Chem. Phys. , 114 : 9518
  • Barker , J.A. , Fisher , R.A. and Watts , R.O. 1971 . Liquid argon: Monte Carlo and molecular dynamics calculations . Mol. Phys. , 21 : 657
  • Axilrod , B.M. and Teller , E. 1943 . Interaction of the van der Waals' type between three atoms . J. Chem. Phys. , 11 : 299
  • Evans , D.J. and Morriss , G.P. 1990 . Statistical Mechanics of Nonequilibrium Liquids , London : Academic Press .
  • Matin , M. , Daivis , P.J. and Todd , B.D. 2000 . Comparison of planar elongational flow for systems of small freely jointed chain molecules . J. Chem. Phys. , 113 : 9122
  • Bosko , J.T. , Todd , B.D. and Sadus , R.J. 2004a . Internal structure of dendrimers in the melt under shear: a molecular dynamics study . J. Chem. Phys. , 121 : 1091
  • Bosko , J.T. , Todd , B.D. and Sadus , R.J. 2004b . Viscolelastic properties of dendrimers in the melt from nonequilibrium molecular dynamics . J. Chem. Phys. , 121 : 12050
  • Böckmann , R. and Grunmüller , H. 2002 . Nanoseconds molecular dynamics simulation of primary mechanical energy transfer steps in F1-ATP synthase . Nature Struct. Biol. , 9 : 198
  • Ma , J. , Flynn , T.C. , Cui , Q. , Leslie , A.W.G. , Walker , J.E. and Karplus , K. 2002 . A dynamical analysis of the rotation mechanism for conformational change in F1-ATPase . Structure , 10 : 921
  • Vargaftik , N.B. , Vinogradov , Y.K. and Yargin , V.S. 1996 . Handbook of Physical Properties of Liquid and Gases , 3rd Ed. , New York : Begell House .
  • Panagiotopoulos , A.Z. 1987 . Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble . Mol. Phys. , 63 : 527

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.