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Article Dans Une Revue Fluid Phase Equilibria Année : 2005

Modeling vapor-liquid interfaces with the gradient theory in combination with the CPA equation of state

Résumé

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%.

Dates et versions

hal-00343511 , version 1 (01-12-2008)

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A.J. Queimada, Christelle Miqueu, Isabel M. Marrucho, G.M. Kontogeorgis, J. A.P. Coutinho. Modeling vapor-liquid interfaces with the gradient theory in combination with the CPA equation of state. Fluid Phase Equilibria, 2005, 228-229, pp.479-485. ⟨10.1016/j.fluid.2004.08.011⟩. ⟨hal-00343511⟩
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