Equations of state of hard-body fluids: a new proposal

被引:6
|
作者
Solana, J. R. [1 ]
机构
[1] Univ Cantabria, Dept Fis Aplicada, E-39005 Santander, Spain
关键词
virial coefficients; hard-body fluids; equations of state; OF-STATE; MONTE-CARLO; VIRIAL-COEFFICIENTS; COMPUTER-SIMULATIONS; PHASE-DIAGRAM; MOLECULES; EXPANSION; MODEL; TRANSITION; MIXTURES;
D O I
10.1080/00268976.2014.975764
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 and accurate equation of state for hard-body fluids is proposed. For linear molecules, the equation only requires the second virial coefficient, which is known exactly for convex as well as for many non-convex hard-body fluids, to provide very good agreement with simulations even for quite elongated molecules. For non-linear molecules, some of the higher order virial coefficients might be needed, for which reasonable approximations would probably be sufficient to obtain satisfactory results.
引用
收藏
页码:1003 / 1013
页数:11
相关论文
共 50 条
  • [1] ON VOLUME-EXPLICIT EQUATIONS OF STATE - HARD-BODY AND REAL FLUIDS
    NEZBEDA, I
    AIM, K
    KOLAFA, J
    ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-LEIPZIG, 1989, 270 (03): : 533 - 539
  • [2] EQUATIONS OF STATE OF NON-SPHERICAL HARD-BODY SYSTEMS
    BOUBLIK, T
    ADVANCES IN CHEMISTRY SERIES, 1983, (204): : 173 - 187
  • [3] A new cubic simplified perturbed hard-body equation of state
    Chen, SF
    Chou, YL
    Chen, YP
    FLUID PHASE EQUILIBRIA, 1996, 118 (02) : 201 - 219
  • [4] A SIMPLE AND ACCURATE EQUATION OF STATE FOR 2-DIMENSIONAL HARD-BODY FLUIDS
    MAESO, MJ
    SOLANA, JR
    JOURNAL OF CHEMICAL PHYSICS, 1995, 102 (21): : 8562 - 8568
  • [5] EQUATIONS OF STATE OF HARD BODY-FLUIDS
    BOUBLIK, T
    MOLECULAR PHYSICS, 1986, 59 (02) : 371 - 380
  • [6] New equations of state for the hard polyhedron fluids
    Tian, Jianxiang
    Jiang, Hua
    Mulero, A.
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 21 (24) : 13109 - 13115
  • [7] Semiclassical statistical mechanics of two-dimensional hard-body fluids
    Karki, SS
    Karki, BP
    Dey, TK
    Sinha, SK
    JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (01):
  • [8] The residual stress state due to a spherical hard-body impact
    Boyce, BL
    Chen, X
    Hutchinson, JW
    Ritchie, RO
    MECHANICS OF MATERIALS, 2001, 33 (08) : 441 - 454
  • [9] Tensorial density functional theory for non-spherical hard-body fluids
    Hansen-Goos, Hendrik
    Mecke, Klaus
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2010, 22 (36)
  • [10] ON EQUATIONS OF STATE FOR HARD CHAIN FLUIDS
    YETHIRAJ, A
    HALL, CK
    MOLECULAR PHYSICS, 1993, 80 (02) : 469 - 477