Interfacial Properties of Fluid Mixtures: Tensiometry, Theoretical, and Molecular Simulations Approaches

Dear Colleagues,

Interfacial properties of fluid mixtures (i.e., concentration profiles, adsorption, enrichment of species, interfacial or surface tension, etc.) play a central role in diverse scientific areas and several industrial applications, where the precise determination is crucial. However, the main difficulty in describing the interfacial properties is that no single approach (i.e., experiments, theory, or molecular simulations) is self-sufficient to obtain a full description of these properties. Experimentation provides interfacial tensions, but they are time-consuming, expensive, and sometimes inconclusive. Theoretical models would be desirable, but interfacial equations of state need external information. Molecular simulations may suffer from a limited predictive capacity due to the sparse experimental information used to describe the force fields. Therefore, a complete description of interfacial properties requires combining in a rational way theory, experiments, and molecular simulations. This special issue's primary purpose is to present in a single volume the current advances and novelty approaches for the determination of interfacial properties.

Dr. Andrés Mejía
Guest Editor

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• Tensiometry
• Square gradient theory
• Density functional theory
• Monte Carlo simulations
• Molecular Dynamics simulations