Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9626070 | Fluid Phase Equilibria | 2005 | 10 Pages |
Abstract
In the application of the density functional theory to liquid-liquid interfaces, we analyzed the influence of different approximations within the theory on the calculation of interfacial structure and thermodynamic potential properties. Especially the use of a weighed density approximation allows us to take short-range local ordering into account. It results in oscillating partial densities or concentration profiles and it yields a highly structured grand canonical potential density across the interface which demonstrates how energetically inhomogeneous a liquid interface is. For a ternary model system, the interfacial tension is calculated, capillary wave contributions are added and their influence is discussed.
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Chemical Engineering (General)
Authors
H. Kahl, M. Mecke, J. Winkelmann,