Equation of state for the Lennard-Jones truncated and shifted fluid with a cut-off radius of 2.5 σ based on perturbation theory and its applications to interfacial thermodynamics

@article{Heier2018EquationOS,
  title={Equation of state for the Lennard-Jones truncated and shifted fluid with a cut-off radius of 2.5 σ based on perturbation theory and its applications to interfacial thermodynamics},
  author={M. Heier and S. Stephan and Jinlu Liu and Walter G Chapman and H. Hasse and K. Langenbach},
  journal={Molecular Physics},
  year={2018},
  volume={116},
  pages={2083 - 2094}
}
  • M. Heier, S. Stephan, +3 authors K. Langenbach
  • Published 2018
  • Physics
  • Molecular Physics
    • ABSTRACT An equation of state is presented for describing thermodynamic properties of the Lennard-Jones truncated and shifted (LJTS) potential with a cut-off radius of 2.5 σ. It is developed using perturbation theory with a hard-sphere reference term and labelled with the acronym PeTS (perturbed truncated and shifted). The PeTS equation of state describes the properties of the bulk liquid and vapour and the corresponding equilibrium of the LJTS fluid well. Furthermore, it is developed so that… CONTINUE READING
    View on Taylor & Francis
    zenodo.org
    23 Citations
    Highly Influencial Citations
    1
    Background Citations
    1
    Methods Citations
    2
    23 Citations
    Citation Type

    Citation Type

    Interfacial properties of binary Lennard-Jones mixtures by molecular simulation and density gradient theory.
    • 13
    Review and Comparison of Equations of State for the Lennard-Jones Fluid
    • 5
    Three-dimensional phase field modeling of inhomogeneous gas-liquid systems using the PeTS equation of state.
    • 4
    Shear-rate dependence of thermodynamic properties of the Lennard-Jones truncated and shifted fluid by molecular dynamics simulations
    Effect of size disparity on the gas-liquid interfacial properties of Lennard-Jones monomer plus dimer mixtures
    Characteristic Curves of the Lennard-Jones Fluid
    • 1
    • PDF
    Molecular interactions at vapor-liquid interfaces: Binary mixtures of simple fluids.
    • 7
    Influence of dispersive long-range interactions on properties of vapour–liquid equilibria and interfaces of binary Lennard-Jones mixtures
    • 7
    Comparison of Macro- and Microscopic Solutions of the Riemann Problem II. Two-Phase Shock Tube
    • PDF
    Interfacial properties of binary mixtures of simple fluids and their relation to the phase diagram.
    • S. Stephan, H. Hasse
    • Materials Science, Medicine
    • Physical chemistry chemical physics : PCCP
    • 2020
    • 3

    References

    SHOWING 1-10 OF 70 REFERENCES
    An accurate Van der Waals-type equation of state for the Lennard-Jones fluid
    • 91
    The Lennard-Jones fluid: an accurate analytic and theoretically-based equation of state
    • 224
    • PDF
    The Lennard-Jones equation of state revisited
    • 996
    • PDF
    Equation of state for the Lennard-Jones fluid
    • 634
    A Density Functional Theory for Vapor–Liquid Interfaces of Mixtures Using the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State
    • 32
    Riemannian geometry study of vapor-liquid phase equilibria and supercritical behavior of the Lennard-Jones fluid.
    • 68
    Modelling of the surface tension of pure components with the gradient theory of fluid interfaces: a simple and accurate expression for the influence parameters
    • 109
    Applications of the Augmented van der Waals Theory of Fluids.: I. Pure Fluids
    • 226
    A density functional theory for vapor-liquid interfaces using the PCP-SAFT equation of state.
    • J. Gross
    • Medicine, Chemistry
    • The Journal of chemical physics
    • 2009
    • 72
    • PDF
    Equation of State for the Lennard-Jones Truncated and Shifted Model Fluid
    • 38
    • PDF