Direct and indirect correlations in low density supercritical Lennard-Jones fluids

Tapas R. Kunor and Srabani Taraphder

Physica A: Statistical Mechanics and its Applications, 2007, vol. 383, issue 2, 401-415

Abstract: We have carried out a detailed comparison of the direct and indirect correlation functions obtained from canonical molecular dynamics (NVT-MD) simulation of supercritical Lennard-Jones fluids to the results obtained by solving the Ornstein–Zernike equation with the approximate Duh–Henderson (DH) closure. The variations of equilibrium correlations are studied as functions of density at two supercritical isotherms near and away from the critical point. The direct and indirect correlations predicted using the DH closure provides a very good agreement with our simulation results at low densities. However, a marked deviation is observed at higher densities. These results are correlated to the discrepancies between the density and temperature dependence of the underlying bridge function. The implication of these results on the calculation of chemical potential and the Krichevskii parameter is also presented.

Keywords: Direct correlation function; Lennard-Jones; Supercritical (search for similar items in EconPapers)
Date: 2007
References: View complete reference list from CitEc
Citations:

Downloads: (external link)
http://www.sciencedirect.com/science/article/pii/S0378437107004062
Full text for ScienceDirect subscribers only. Journal offers the option of making the article available online on Science direct for a fee of $3,000

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:383:y:2007:i:2:p:401-415

DOI: 10.1016/j.physa.2007.04.114

Access Statistics for this article

Physica A: Statistical Mechanics and its Applications is currently edited by K. A. Dawson, J. O. Indekeu, H.E. Stanley and C. Tsallis

More articles in Physica A: Statistical Mechanics and its Applications from Elsevier
Bibliographic data for series maintained by Catherine Liu ().