Chemical-Potential Route: A Hidden Percus-Yevick Equation of State for Hard Spheres

被引:17
作者
Santos, Andres [1 ]
机构
[1] Univ Extremadura, Dept Fis, E-06071 Badajoz, Spain
关键词
SCALED PARTICLE THEORY; STATISTICAL-MECHANICS; VIRIAL ROUTES; FLUID; ENERGY;
D O I
10.1103/PhysRevLett.109.120601
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The chemical potential of a hard-sphere fluid can be expressed in terms of the contact value of the radial distribution function of a solute particle with a diameter varying from zero to that of the solvent particles. Exploiting the explicit knowledge of such a contact value within the Percus-Yevick theory, and using standard thermodynamic relations, a hitherto unknown Percus-Yevick equation of state, p/rho k(B)T = -(9/eta) ln(1 - eta) - (16 - 31 eta)/2(1 -eta)(2), is unveiled. This equation of state turns out to be better than the one obtained from the conventional virial route. Interpolations between the chemical-potential and compressibility routes are shown to be more accurate than the widely used Carnahan-Starling equation of state. The extension to polydisperse hard-sphere systems is also presented.
引用
收藏
页数:5
相关论文
共 29 条
[1]   PERCUS-YEVICK EQUATION FOR HARD SPHERES WITH SURFACE ADHESION [J].
BAXTER, RJ .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (06) :2770-&
[2]   HARD-SPHERE EQUATION OF STATE [J].
BOUBLIK, T .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (01) :471-&
[3]   EQUATION OF STATE FOR NONATTRACTING RIGID SPHERES [J].
CARNAHAN, NF ;
STARLING, KE .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (02) :635-&
[4]  
CLISBY N, 2006, J STAT PHYS, V122, P15, DOI DOI 10.1007/S10955-0050-8080-0
[5]   A REMARK ON THE PERCUS-YEVICK APPROXIMATION IN HIGHER DIMENSIONS - HARD-CORE SYSTEMS [J].
FREASIER, BC ;
ISBISTER, DJ .
MOLECULAR PHYSICS, 1981, 42 (04) :927-936
[6]   HIGH-DENSITY PROPERTIES OF HARD-SPHERES WITHIN A MODIFIED PERCUS-YEVICK THEORY - THE ROLE OF THERMODYNAMIC CONSISTENCY [J].
GIAQUINTA, PV ;
GIUNTA, G ;
MALESCIO, G .
JOURNAL OF STATISTICAL PHYSICS, 1991, 63 (1-2) :141-165
[7]  
Hansen J.-P., 2006, Theory of Simple Liquids, Vthird
[8]   Scaled particle theory revisited: New conditions and improved predictions of the properties of the hard sphere fluid [J].
Heying, M ;
Corti, DS .
JOURNAL OF PHYSICAL CHEMISTRY B, 2004, 108 (51) :19756-19768
[9]   Accurate equation of state of the hard sphere fluid in stable and metastable regions [J].
Kolafa, J ;
Labík, S ;
Malijevsky, A .
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2004, 6 (09) :2335-2340
[10]   Virial coefficients of hard spheres and hard disks up to the ninth -: art. no. 021105 [J].
Labík, S ;
Kolafa, J ;
Malijevsky, A .
PHYSICAL REVIEW E, 2005, 71 (02)