Universität zu Köln

Mausbach, Peter, Koester, Andreas and Vrabec, Jadran ORCID: 0000-0002-7947-4051 (2018). Liquid state isomorphism, Rosenfeld-Tarazona temperature scaling, and Riemannian thermodynamic geometry. Phys. Rev. E, 97 (5). COLLEGE PK: AMER PHYSICAL SOC. ISSN 2470-0053

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Abstract

Aspects of isomorph theory, Rosenfeld-Tarazona temperature scaling, and thermodynamic geometry are comparatively discussed on the basis of the Lennard-Jones potential. The first two approaches approximate the high-density fluid state well when the repulsive interparticle interactions become dominant, which is typically the case close to the freezing line. However, previous studies of Rosenfeld-Tarazona scaling for the isochoric heat capacity and its relation to isomorph theory reveal deviations for the temperature dependence. It turns out that a definition of a state region in which repulsive interactions dominate is required for achieving consistent results. The Riemannian thermodynamic scalar curvature R allows for such a classification, indicating predominantly repulsive interactions by R > 0. An analysis of the isomorphic character of the freezing line and the validity of Rosenfeld-Tarazona temperature scaling show that these approaches are consistent only in a small state region.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Mausbach, Peter UNSPECIFIED UNSPECIFIED UNSPECIFIED Koester, Andreas UNSPECIFIED UNSPECIFIED UNSPECIFIED Vrabec, Jadran UNSPECIFIED orcid.org/0000-0002-7947-4051 UNSPECIFIED
URN:	urn:nbn:de:hbz:38-185850
DOI:	10.1103/PhysRevE.97.052149
Journal or Publication Title:	Phys. Rev. E
Volume:	97
Number:	5
Date:	2018
Publisher:	AMER PHYSICAL SOC
Place of Publication:	COLLEGE PK
ISSN:	2470-0053
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language MOLECULAR SIMULATION TOOL; LENNARD-JONES FLUID; MELTING LINE; MS2; CURVATURE; RELEASE; SYSTEMS; CORE Multiple languages Physics, Fluids & Plasmas; Physics, Mathematical Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/18585