Characteristic Curves of the Lennard-Jones Fluid

被引:28
|
作者
Stephan, Simon [1 ]
Deiters, Ulrich K. [2 ]
机构
[1] TU Kaiserslautern, Lab Engn Thermodynam LTD, Erwin Schrodinger Str 44, D-67663 Kaiserslautern, Germany
[2] Univ Cologne, Inst Phys Chem, Greinstr 4-6, D-50939 Cologne, Germany
基金
欧洲研究理事会;
关键词
Lennard-Jones fluid; Equation of state; Characteristic curves; Virial coefficients; EQUATION-OF-STATE; THOMSON INVERSION CURVES; 3RD VIRIAL-COEFFICIENTS; PERTURBED-CHAIN SAFT; PURE FLUIDS; MOLECULAR-DYNAMICS; SURFACE-TENSION; THERMODYNAMIC PROPERTIES; COMPUTER-SIMULATION; MODEL;
D O I
10.1007/s10765-020-02721-9
中图分类号
O414.1 [热力学];
学科分类号
摘要
Equations of state based on intermolecular potentials are often developed about the Lennard-Jones (LJ) potential. Many of such EOS have been proposed in the past. In this work, 20 LJ EOS were examined regarding their performance on Brown's characteristic curves and characteristic state points. Brown's characteristic curves are directly related to the virial coefficients at specific state points, which can be computed exactly from the intermolecular potential. Therefore, also the second and third virial coefficient of the LJ fluid were investigated. This approach allows a comparison of available LJ EOS at extreme conditions. Physically based, empirical, and semi-theoretical LJ EOS were examined. Most investigated LJ EOS exhibit some unphysical artifacts.
引用
收藏
页数:24
相关论文
共 50 条
  • [1] Characteristic Curves of the Lennard-Jones Fluid
    Simon Stephan
    Ulrich K. Deiters
    International Journal of Thermophysics, 2020, 41
  • [2] Characteristic Curves of Polar Fluids: (II) The Two-Center Lennard-Jones Plus Quadrupole Fluid
    Renneis, Hans
    Stephan, Simon
    INTERNATIONAL JOURNAL OF THERMOPHYSICS, 2024, 45 (05)
  • [3] Equation of State for the Lennard-Jones Fluid
    Thol, Monika
    Rutkai, Gabor
    Koester, Andreas
    Lustig, Rolf
    Span, Roland
    Vrabec, Jadran
    JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 2016, 45 (02)
  • [4] Review and comparison of equations of state for the Lennard-Jones fluid
    Stephan, Simon
    Staubach, Jens
    Hasse, Hans
    FLUID PHASE EQUILIBRIA, 2020, 523
  • [5] Characteristic Curves of Polar Fluids: (I) The Two-Center Lennard-Jones Plus Dipole Fluid
    Renneis, Hans
    Stephan, Simon
    INTERNATIONAL JOURNAL OF THERMOPHYSICS, 2024, 45 (06)
  • [6] Predicting the Thermodynamic Properties of the Modified Lennard-Jones Fluid from the Lennard-Jones Equation of State
    Fuchizaki, Kazuhiro
    Asano, Yuta
    JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 2013, 82 (12)
  • [7] Thermophysical Properties of the Lennard-Jones Fluid: Database and Data Assessment
    Stephan, Simon
    Thol, Monika
    Vrabec, Jadran
    Hasse, Hans
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2019, 59 (10) : 4248 - 4265
  • [8] Equation of State for the Lennard-Jones Truncated and Shifted Model Fluid
    Thol, Monika
    Rutkai, Gabor
    Span, Roland
    Vrabec, Jadran
    Lustig, Rolf
    INTERNATIONAL JOURNAL OF THERMOPHYSICS, 2015, 36 (01) : 25 - 43
  • [9] Equivalence between condensation and boiling in a Lennard-Jones fluid
    Sanchez-Burgos, I
    Montero de Hijes, P.
    Rosales-Pelaez, P.
    Vega, C.
    Sanz, E.
    PHYSICAL REVIEW E, 2020, 102 (06)
  • [10] Augmented van der Waals equation of state for the Lennard-Jones fluid
    Hess, S
    PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS, 1999, 267 (1-2) : 58 - 70