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Surface Properties of Synthesized Nanoporous Carbon and Silica Matrices
Published on: March 27, 2019
Dependence of the macroscopic contact angle on the liquid-solid interaction parameters and temperature
Gersh O Berim1, Eli Ruckenstein
1Department of Chemical and Biological Engineering, State University of New York at Buffalo, Buffalo, New York 14260, USA.
The Journal of Chemical Physics
|May 20, 2009
Summary
This study uses nonlocal density functional theory to model fluid-solid interactions and predict contact angles. The contact angle exhibits a linear dependence on fluid-solid energy, with a critical value influencing temperature effects.
Area of Science:
- Physical Chemistry
- Materials Science
- Surface Science
Background:
- Understanding fluid-solid interactions is crucial for predicting interfacial phenomena.
- Surface tension and contact angle are key parameters in fluid behavior on surfaces.
- Nonlocal density functional theory provides a framework for molecular-level simulations.
Purpose of the Study:
- To determine solid-vapor, solid-liquid, and liquid-vapor surface tensions.
- To investigate the temperature and interaction potential dependence of contact angles.
- To validate theoretical models for both nanoscopic and macroscopic drops.
Main Methods:
- Utilizing nonlocal density functional theory.
- Employing Lennard-Jones potentials for fluid-fluid and fluid-solid interactions.
- Calculating surface tensions and contact angles across wide temperature ranges.
Main Results:
- Solid-vapor, solid-liquid, and liquid-vapor surface tensions were determined.
- Contact angle showed a linear dependence on fluid-solid energy parameter epsilon(fs).
- A critical energy parameter epsilon(0) was identified, leading to a temperature-independent contact angle theta(0).
Conclusions:
- The contact angle's temperature dependence is governed by its relation to the critical value theta(0).
- Theoretical models for nanodrops are applicable to macroscopic drops with parameter adjustments.
- This research offers insights into interfacial behavior relevant to materials science and chemical engineering.
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