Universität zu Köln

Stephan, Simon ORCID: 0000-0002-4578-3569 and Deiters, Ulrich K. ORCID: 0000-0001-7669-5847 (2020). Characteristic Curves of the Lennard-Jones Fluid. Int. J. Thermophys., 41 (10). NEW YORK: SPRINGER/PLENUM PUBLISHERS. ISSN 1572-9567

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Abstract

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.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Stephan, Simon UNSPECIFIED orcid.org/0000-0002-4578-3569 UNSPECIFIED Deiters, Ulrich K. UNSPECIFIED orcid.org/0000-0001-7669-5847 UNSPECIFIED
URN:	urn:nbn:de:hbz:38-322863
DOI:	10.1007/s10765-020-02721-9
Journal or Publication Title:	Int. J. Thermophys.
Volume:	41
Number:	10
Date:	2020
Publisher:	SPRINGER/PLENUM PUBLISHERS
Place of Publication:	NEW YORK
ISSN:	1572-9567
Language:	English
Faculty:	Faculty of Mathematics and Natural Sciences
Divisions:	Faculty of Mathematics and Natural Sciences > Department of Chemistry > Institute of Physical Chemistry
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language EQUATION-OF-STATE; THOMSON INVERSION CURVES; 3RD VIRIAL-COEFFICIENTS; PERTURBED-CHAIN SAFT; PURE FLUIDS; MOLECULAR-DYNAMICS; SURFACE-TENSION; THERMODYNAMIC PROPERTIES; COMPUTER-SIMULATION; MODEL Multiple languages Thermodynamics; Chemistry, Physical; Mechanics; Physics, Applied Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/32286