Universität zu Köln

Bell, Ian H. and Deiters, Ulrich K. ORCID: 0000-0001-7669-5847 (2018). On the construction of binary mixture p-x and T-x diagrams from isochoric thermodynamics. AICHE J., 64 (7). S. 2745 - 2758. HOBOKEN: WILEY. ISSN 1547-5905

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Abstract

In this work, we describe how to efficiently and reliably calculate p-x and T-x diagrams for binary mixtures of fluids. The method is based on the use of the Helmholtz energy density as the fundamental thermodynamic potential. Through the use of temperature and molar concentrations of the components as the independent variables, differential relationships can be constructed along the phase envelope surface, and this system of differential equations is then integrated to construct isotherms and isobars cutting through the phase envelope. The use of the Helmholtz energy density as the fundamental potential allows several models to be considered in this formalism, including cubic equations of state (Peng-Robinson, GC-VTPR, etc.) as well as high-accuracy multifluid equations of state (the so-called GERG mixture model). Examples of each class are presented, demonstrating the flexibility of this method. Source code, examples, and comprehensive analytic derivatives are provided in the Supporting Information. (c) 2018 American Institute of Chemical Engineers AIChE J, 64: 2745-2757, 2018

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Bell, Ian H. UNSPECIFIED UNSPECIFIED UNSPECIFIED Deiters, Ulrich K. UNSPECIFIED orcid.org/0000-0001-7669-5847 UNSPECIFIED
URN:	urn:nbn:de:hbz:38-181377
DOI:	10.1002/aic.16074
Journal or Publication Title:	AICHE J.
Volume:	64
Number:	7
Page Range:	S. 2745 - 2758
Date:	2018
Publisher:	WILEY
Place of Publication:	HOBOKEN
ISSN:	1547-5905
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 DENSITY MARCHING METHOD; EQUATION-OF-STATE; PHASE ENVELOPES; CARBON-DIOXIDE; MULTICOMPONENT MIXTURES; DIFFERENTIAL-EQUATIONS; LIQUID EQUILIBRIA; FLUID MIXTURES; MELTING LINE; PRESSURES Multiple languages Engineering, Chemical Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/18137