Modeling vapor-liquid interfaces with the gradient theory in combination with the CPA equation of state
authors Queimada, AJ; Miqueu, C; Marrucho, IM; Kontogeorgis, GM; Coutinho, JAP
nationality International
journal FLUID PHASE EQUILIBRIA
author keywords CPA; gradient theory; hydrocarbon; water; interfacial tension; model
keywords PHASE-EQUILIBRIA; FLUID INTERFACES; SURFACE-TENSION; NORMAL-ALKANES; MIXTURES; WATER; SYSTEMS; BINARY; PREDICTION; COMPONENTS
abstract With the final purpose of describing the important aqueous + hydrocarbon liquid-liquid interfaces, the gradient theory was combined with the Cubic-Plus-Association equation of state (CPA EOS), taking advantage of the correct representation of interfacial tensions provided by the gradient theory and the correct phase equilibrium of water + hydrocarbon systems already obtained from CPA. In this work, preliminary studies involving the vapor-liquid interfacial tensions of some selected associating and non-associating pure components (water, ethanol, n-butane, n-pentane, n-hexane, n-heptane) are presented and discussed. The good description of equilibrium properties such as vapor pressure and liquid and vapor phase densities is shown in the full range of the vapor-liquid saturation line. For non-associating components, results are compared with those from the Soave-Redlich-Kwong and Peng-Robinson equations of state. A correlation for the influence parameter is presented from which surface tensions can be obtained in a broad temperature range with average errors smaller than 1%. (c) 2004 Elsevier B.V. All rights reserved.
publisher ELSEVIER SCIENCE BV
issn 0378-3812
year published 2005
volume 228
beginning page 479
ending page 485
digital object identifier (doi) 10.1016/j.fluid.2004.08.011
web of science category Thermodynamics; Chemistry, Physical; Engineering, Chemical
subject category Thermodynamics; Chemistry; Engineering
unique article identifier WOS:000229584900057
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journal impact factor 2.838
5 year journal impact factor 2.454
category normalized journal impact factor percentile 61.717
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