Loci of extrema of thermodynamic response functions for the Lennard-Jones fluid

被引:7
作者
Tellez-Arredondo, Pablo [2 ]
Medeiros, Milton [2 ]
Pineiro, Manuel M. [1 ]
Cerdeirina, Claudio A. [1 ]
机构
[1] Univ Vigo, Dept Fis Aplicada, Orense 32004, Spain
[2] Univ Nacl Autonoma Mexico, Fac Quim, Dept Fisicoquim, Mexico City 04510, DF, Mexico
关键词
thermodynamic response functions; loci of extrema; Lennard-Jones fluid; SOFT-CORE EQUATIONS; SINGULARITY-FREE INTERPRETATION; OF-STATE; TERMINATION TEMPERATURES; CHARACTERISTIC CURVES; HARD-CORE; HEAT-CAPACITY; 2-STATE MODEL; WIDOM LINE; BEHAVIOR;
D O I
10.1080/00268976.2011.619505
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
Lines of extrema along isotherms and isobars for the residual isochoric heat capacity, the residual isobaric heat capacity, the isobaric thermal expansivity, and the isothermal compressibility of the Lennard-Jones fluid have been studied from popular equations of state due to Johnson et al. [Mol. Phys. 78, 591 (1993)], Kolafa and Nezbeda [Fluid Phase Equilib. 100, 1 (1994)], and Mecke et al. [Int. J. Thermophys. 17, 391 (1996)]. On depicting such loci in the pressure-temperature plane, the characteristic behaviour of thermodynamic response functions in the ideal-gas limit (at high enough temperatures or low enough pressures), the close-packed-fluid limit (at low enough temperatures or high enough pressures) as well as in the liquid, critical, and supercritical regions is identified. The present analysis is informative itself, but it also stimulates further work in order to tackle more complicated cases of study including associated fluids.
引用
收藏
页码:2443 / 2449
页数:7
相关论文
共 50 条
  • [41] Precise simulation of the freezing transition of supercritical Lennard-Jones
    Nayhouse, Michael
    Amlani, Ankur M.
    Orkoulas, G.
    JOURNAL OF CHEMICAL PHYSICS, 2011, 135 (15)
  • [42] Diffusion and viscosity equations of state for a Lennard-Jones fluid obtained from molecular dynamics simulations
    R. L. Rowley
    M. M. Painter
    International Journal of Thermophysics, 1997, 18 : 1109 - 1121
  • [43] Diffusion and viscosity equations of state for a Lennard-Jones fluid obtained from molecular dynamics simulations
    Rowley, RL
    Painter, MM
    INTERNATIONAL JOURNAL OF THERMOPHYSICS, 1997, 18 (05) : 1109 - 1121
  • [44] Mapping the phase diagram for neon to a quantum Lennard-Jones fluid using Gibbs ensemble simulations
    Georgescu, Ionut
    Brown, Sandra E.
    Mandelshtam, Vladimir A.
    JOURNAL OF CHEMICAL PHYSICS, 2013, 138 (13)
  • [45] Pressure tensor and surface tension of an associating Lennard-Jones fluid confined in a closed spherical cavity
    Liu Shu-jing
    Li Jiang-tao
    Gu Fang
    Wang Hai-jun
    CHINESE JOURNAL OF PHYSICS, 2019, 58 : 339 - 347
  • [46] A molecular dynamics simulation study of the self-diffusion coefficient and viscosity of the Lennard-Jones fluid
    Meier, K
    Laesecke, A
    Kabelac, S
    INTERNATIONAL JOURNAL OF THERMOPHYSICS, 2001, 22 (01) : 161 - 173
  • [47] Density functional theory of vapor to liquid heterogeneous nucleation: Lennard-Jones fluid on solid substrate
    Ghosh, Satinath
    Ghosh, Swapan K.
    MOLECULAR PHYSICS, 2013, 111 (07) : 868 - 877
  • [48] Riemannian geometry study of vapor-liquid phase equilibria and supercritical behavior of the Lennard-Jones fluid
    May, Helge-Otmar
    Mausbach, Peter
    PHYSICAL REVIEW E, 2012, 85 (03):
  • [49] Discrete perturbation theory applied to Lennard-Jones and Yukawa potentials
    Chapela, Gustavo A.
    Del Rio, Fernando
    Laura Benavides, Ana
    Alejandre, Jose
    JOURNAL OF CHEMICAL PHYSICS, 2010, 133 (23)
  • [50] An equation of state for two-center Lennard-Jones fluids
    M. Mecke
    A. Müller
    J. Winkelmann
    J. Fischer
    International Journal of Thermophysics, 1997, 18 : 683 - 698