We investigate gas enrichment near extended surfaces for gas-water mixtures using molecular dynamics simulations. We develop a detailed understanding of the various interactions that are responsible for gas enrichment by considering different gas-water mixtures and surfaces. We identify the significance of the solvent-induced potential on gas and show that both the solvent-induced potential and the gas-wall potential play an important role in gas enrichment. We perform a detailed thermodynamic analysis and discuss the significance of the entropic and enthalpic components of the solvent-induced potential for gas enrichment.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Physical and Theoretical Chemistry
- Surfaces, Coatings and Films