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Published on: August 15, 2016
Complete prewetting
P Yatsyshin1, A O Parry2, S Kalliadasis1
1Department of Chemical Engineering, Imperial College London, London SW7 2AZ, UK.
We investigated interfacial transitions in confined systems, revealing complex phase diagrams influenced by intermolecular forces and fluctuations. These findings are crucial for understanding fluid behavior in various geometries.
Area of Science:
- Physical Chemistry
- Surface Science
- Thermodynamics
Background:
- Continuous interfacial transitions, analogous to 2D complete wetting, are observed.
- These transitions are linked to first-order prewetting lines.
- Such phenomena occur in various confining geometries like steps, patterned walls, grooves, and wedges.
Purpose of the Study:
- To study continuous interfacial transitions in confined systems.
- To investigate the influence of intermolecular force range and interfacial fluctuations.
- To explore the competition between wetting, filling, and condensation phenomena.
Main Methods:
- Utilizing microscopic classical density functional theory (DFT).
- Modeling systems with realistic Lennard-Jones fluid-fluid and fluid-substrate potentials.
- Computing mean-field fluid density profiles, adsorption isotherms, and phase diagrams.
Main Results:
- Identified rich phase diagrams even for simple geometries.
- Demonstrated sensitivity of transitions to force range and fluctuations.
- Computed detailed fluid behavior including density profiles and isotherms.
Conclusions:
- Continuous interfacial transitions and prewetting lines create complex phase behavior in confined systems.
- Interfacial fluctuations and intermolecular forces significantly impact these transitions.
- DFT provides a robust framework for predicting fluid behavior in diverse geometries.
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