Modeling of the Surface Tension of Multicomponent Mixtures with the Gradient Theory of Fluid Interfaces

• Published in: Industrial & engineering chemistry research Vol. 44; no. 9; pp. 3321 - 3329
• Main Authors: Miqueu, Christelle, Mendiboure, Bruno, Graciaa, Alain, Lachaise, Jean
• Format: Journal Article
• Language: English
• Published: Washington, DC American Chemical Society 27-04-2005
• Subjects: Applied sciences; Chemical engineering; Exact sciences and technology; Multicomponent mixture; Modeling; Surface tension
• ISSN: 0888-5885; 1520-5045
• DOI: 10.1021/ie049086l

The gradient theory of fluid interfaces is for the first time applied, without any lumping, to complex mixtures of more than three components, here made up of hydrocarbons and of a high proportion of carbon dioxide, nitrogen, or methane. It is combined with the volume-corrected Peng−Robinson equation of state. No adjustable parameters are used in the influence parameters mixing rule, which allows use of the gradient theory in a predictive manner. It gives very good estimates of the surface tension of the complex mixtures studied. In any case, it is found to be much superior to the traditional parachor method. The gradient theory is also used to compute the density profiles of the mixture components in the interface; it confirms that the low interfacial tensions of the systems studied are principally induced by a local accumulation of carbon dioxide, nitrogen, or methane in the interface.