Equation of state of inverse power fluids

被引:6
作者
Branka, AC
Heyes, DM [1 ]
机构
[1] Univ Surrey, Sch Biomed & Mol Sci, Div Chem, Guildford GU2 7XH, Surrey, England
[2] Polish Acad Sci, Inst Mol Phys, PL-60179 Poznan, Poland
基金
英国工程与自然科学研究理事会;
关键词
D O I
10.1080/00268970412331292821
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A new equation of state for the inverse power, r(-n) potential, fluid is proposed. It is derived on the basis of the local scaling behaviour of its structural properties, without referring to any perturbative scheme, and therefore recourse to an effective hard sphere diameter. It is shown that the general formula for the compressibility factor can be expressed as the product of three functions. The first represents the hard-sphere equation of state at the same packing fraction, and the other two incorporate the effects of the potential softness, again as functions of density. Using computer simulation results, explicit forms for these soft parts have been established, to give an approximate analytic expression for the r(-n) fluid equation of state. Two different regions, characterized by positive and negative softness 'compressibility' have been found.
引用
收藏
页码:2049 / 2056
页数:8
相关论文
共 26 条
[11]   Thermodynamics and elastic moduli of fluids with steeply repulsive potentials [J].
Heyes, DM .
JOURNAL OF CHEMICAL PHYSICS, 1997, 107 (06) :1963-1969
[12]   Static properties and time correlation functions of fluids with steeply repulsive potentials [J].
Heyes, DM ;
Rickayzen, G ;
Branka, AC .
MOLECULAR PHYSICS, 2004, 102 (19-20) :2057-2070
[13]   The velocity autocorrelation function and self-diffusion coefficient of fluids with steeply repulsive potentials [J].
Heyes, DM ;
Powles, JG ;
Rickayzen, G .
MOLECULAR PHYSICS, 2002, 100 (05) :595-610
[14]   THERMODYNAMIC PROPERTIES OF FLUID AND SOLID PHASES FOR INVERSE POWER POTENTIALS [J].
HOOVER, WG ;
GRAY, SG ;
JOHNSON, KW .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (03) :1128-&
[15]   STATISTICAL MECHANICS OF PHASE-DIAGRAMS .1. INVERSE POWER POTENTIALS AND CLOSE-PACKED TO BODY-CENTERED CUBIC TRANSITION [J].
HOOVER, WG ;
GROVER, R ;
YOUNG, DA .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (05) :2207-&
[16]   A PERTURBATION-THEORY OF CLASSICAL EQUILIBRIUM FLUIDS [J].
KANG, HS ;
LEE, CS ;
REE, T ;
REE, FH .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (01) :414-423
[17]   Test of nonequilibrium thermodynamics in glassy systems: The soft-sphere case [J].
La Nave, E ;
Sciortino, F ;
Tartaglia, P ;
Shell, MS ;
Debenedetti, PG .
PHYSICAL REVIEW E, 2003, 68 (03) :4
[18]   THE CRYSTAL LIQUID INTERFACE OF A BODY-CENTERED-CUBIC-FORMING SUBSTANCE - COMPUTER-SIMULATIONS OF THE R-6 POTENTIAL [J].
LAIRD, BB ;
HAYMET, ADJ .
JOURNAL OF CHEMICAL PHYSICS, 1989, 91 (06) :3638-3646
[19]   PHASE-DIAGRAM FOR THE INVERSE 6TH-POWER POTENTIAL SYSTEM FROM MOLECULAR-DYNAMICS COMPUTER-SIMULATION [J].
LAIRD, BB ;
HAYMET, ADJ .
MOLECULAR PHYSICS, 1992, 75 (01) :71-80
[20]   Equation of state for hard-spheres [J].
Miandehy, M ;
Modarress, H .
JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (05) :2716-2719