- Rapid Communication
- Access by Xinjiang University
Class of consistent fundamental-measure free energies for hard-sphere mixtures
Phys. Rev. E 86, 040102(R) – Published 5 October, 2012
DOI: https://doi.org/10.1103/PhysRevE.86.040102
Abstract
In fundamental-measure theories the bulk excess free-energy density of a hard-sphere fluid mixture is assumed to depend on the partial number densities only through the four scaled-particle-theory variables , i.e., . By imposing consistency conditions, it is proven here that such a dependence must necessarily have the form , where is a scaled variable and is an arbitrary dimensionless scaling function which can be determined from the free-energy density of the one-component system. Extension to the inhomogeneous case is achieved by standard replacements of the variables by the fundamental-measure (scalar, vector, and tensor) weighted densities . Comparison with computer simulations shows the superiority of this bulk free energy over the White Bear one.
Article Text
References (28)
- Y. Rosenfeld, Phys. Rev. Lett. 63, 980 (1989).
- E. Kierlik and M. L. Rosinberg, Phys. Rev. A 42, 3382 (1990).
- Y. Rosenfeld, M. Schmidt, H. Löwen, and P. Tarazona, Phys. Rev. E 55, 4245 (1997).
- P. Tarazona, Phys. Rev. Lett. 84, 694 (2000).
- R. Roth, R. Evans, A. Lang, and G. Kahl, J. Phys.: Condens. Matter 14, 12063 (2002).
- Y.-X. Yu and J. Wu, J. Chem. Phys. 117, 10156 (2002).
- J. A. Cuesta, Y. Martínez-Ratón, and P. Tarazona, J. Phys.: Condens. Matter 14, 11965 (2002).
- Y.-X. Yu, J. Wu, Y.-X. Xin, and G.-H. Gao, J. Chem. Phys. 121, 1535 (2004).
- Al. Malijevský, J. Chem. Phys. 125, 194519 (2006).
- H. Hansen-Goos and R. Roth, J. Phys.: Condens. Matter 18, 8413 (2006).
- P. Tarazona, J. A. Cuesta, and Y. Martínez-Ratón, in Theory and Simulation of Hard-Sphere Fluids and Related Systems, edited by A. Mulero, Lecture Notes in Physics, Vol. 753 (Springer, Berlin, 2008), pp. 247–341.
- J. F. Lutsko, Recent Developments in Classical Density Functional Theory, Advances in Chemical Physics, Vol. 144, Chap. 1 (Wiley, Hoboken, NJ, 2010), pp. 1–92.
- R. Roth, J. Phys.: Condens. Matter 22, 063102 (2010).
- J. K. Percus, J. Stat. Phys. 52, 1157 (1988).
- T. Boublík, J. Chem. Phys. 53, 471 (1970).
- G. A. Mansoori, N. F. Carnahan, K. E. Starling, and J. T. W. Leland, J. Chem. Phys. 54, 1523 (1971).
- H. Hansen-Goos and R. Roth, J. Chem. Phys. 124, 154506 (2006).
- A. Santos, J. Chem. Phys. 136, 136102 (2012).
- N. F. Carnahan and K. E. Starling, J. Chem. Phys. 51, 635 (1969).
- J. A. Gualtieri, J. M. Kincaid, and G. Morrison, J. Chem. Phys. 77, 521 (1982).
- P. Sollich, P. B. Warren, and M. E. Cates, Adv. Chem. Phys. 116, 265 (2001).
- P. Sollich, J. Phys.: Condens. Matter 14, R79 (2002).
- H. Reiss, H. L. Frisch, E. Helfand, and J. L. Lebowitz, J. Chem. Phys. 32, 119 (1960).
- M. López de Haro, S. B. Yuste, and A. Santos, in Theory and Simulation of Hard-Sphere Fluids and Related Systems, edited by A. Mulero, Lecture Notes in Physics, Vol. 753 (Springer, Berlin, 2008), pp. 183–245.
- R. Blaak, Mol. Phys. 95, 695 (1998).
- J. F. Lutsko (private communication).
- M. Barošová, A. Malijevský, S. Labík, and W. R. Smith, Mol. Phys. 87, 423 (1996).
- A. González, J. A. White, and A. Santos (unpublished).