Universität zu Köln

Deiters, Ulrich K. ORCID: 0000-0001-7669-5847 and Bell, Ian H. (2019). Calculation of phase envelopes of fluid mixtures through parametric marching. AICHE J., 65 (11). HOBOKEN: WILEY. ISSN 1547-5905

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Abstract

Two-dimensional cross-sections of the phase envelopes of fluid mixtures-in particular isotherms, isobars, and isopleths-are often computed point-by-point by incrementing a so-called marching variable and solving the equilibrium conditions at each step. The marching variable is usually pressure, temperature, or a mole fraction, depending on the application. These isolines, however, can have rather complicated shapes, so that a simple unidirectional sweep of the marching variable often gives merely a part of the desired isoline. It is then necessary to restart the sweep with different initial values, or to switch to another marching variable. This, however, makes it difficult to compute complete isolines automatically, without human interference. We propose here a new marching technique through which it is possible to follow isolines of arbitrary shape and thus to compute complete isolines, as long as they are contiguous.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Deiters, Ulrich K. UNSPECIFIED orcid.org/0000-0001-7669-5847 UNSPECIFIED Bell, Ian H. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-144490
DOI:	10.1002/aic.16730
Journal or Publication Title:	AICHE J.
Volume:	65
Number:	11
Date:	2019
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 DIFFERENTIAL-EQUATIONS; DIAGRAMS; EQUILIBRIA; LIQUID Multiple languages Engineering, Chemical Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/14449