Published June 2, 2008 | Version v1
Journal article

A new analytical perturbed equation of state for hard chain fluids with attractive potentials of variable range

  • 1. Department of Chemistry, Faculty of Science, Yazd University, Yazd 89195-741 (Iran, Islamic Republic of)

Description

A completely analytical perturbation theory equation of state for hard chain fluids is derived. The derived equation of state can represent the thermodynamic properties of many kinds of hard chain fluids such as the square-well chain and Yukawa chain fluid, by varying of its parameters. The predicted results are in good agreement with both the molecular simulation data and the well-known equations of state. In this paper the hard chain molecules are modelled as a pearl necklace of freely jointed spheres that interact via site-site intermolecular potential. Our first- and second-order perturbation terms are based on the Barker-Henderson local compressibility approximation and Gulati-Hall's perturbation theory, respectively. To obtain the perturbation terms, we do not require knowledge of site-site radial distribution function of the reference hard chain fluid, which is obtained from molecular dynamic simulation, or any explicit mathematical form of it. This perturbation method yields a simple and general analytical expression for each thermodynamic property of hard chain fluids. The most important feature of this equation of state is that it has no adjustable parameters and in some regions in which there is no simulation data for such fluids, such equation may be used to predict the needed data

Availability note (English)

Available from http://dx.doi.org/10.1016/j.chemphys.2008.02.002

Additional details

Identifiers

DOI
10.1016/j.chemphys.2008.02.002;
PII
S0301-0104(08)00104-3;

Publishing Information

Journal Title
Chemical Physics
Journal Volume
348
Journal Issue
1-3
Journal Page Range
p. 1-10
ISSN
0301-0104
CODEN
CMPHC2

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
40033850
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Descriptors DEI
COMPRESSIBILITY; EQUATIONS OF STATE; FLUIDS; PERTURBATION THEORY; SIMULATION; SPATIAL DISTRIBUTION; THERMODYNAMIC PROPERTIES
Descriptors DEC
DISTRIBUTION; EQUATIONS; MECHANICAL PROPERTIES; PHYSICAL PROPERTIES

Optional Information

Copyright
Copyright (c) 2008 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.