Issue 18, 2020

Performance of the asymptotic expansion method to derive equations of state for hard polyhedron fluids

Abstract

The asymptotic expansion method is used to derive analytical expressions for the equations of state of 14 hard polyhedron fluids such as cube, octahedron, rhombic dodecahedron, etc., by knowing the values of only the first eight virial coefficients. The results for the compressibility factor were compared with the most recent ones reported in the literature and obtained by computer simulations. Good results (averaged deviations below 1%) are found for the 8 fluids studied. On the other hand, the method seems to be inadequate, at least with the presently available values for the virial coefficients and compressibility factors, for 4 polyhedron fluids. Unfortunately, sometimes the method does not give low deviations at high densities or it gives excessively high values for the location of the pole. As an advantage, the value of the pole for the compressibility factor is always positive, which is not observed when other methods are used.

Graphical abstract: Performance of the asymptotic expansion method to derive equations of state for hard polyhedron fluids

Article information

Article type
Paper
Submitted
17 Feb 2020
Accepted
28 Mar 2020
First published
08 Apr 2020

Phys. Chem. Chem. Phys., 2020,22, 10360-10367

Performance of the asymptotic expansion method to derive equations of state for hard polyhedron fluids

J. Tian, H. Jiang and A. Mulero, Phys. Chem. Chem. Phys., 2020, 22, 10360 DOI: 10.1039/D0CP00895H

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements