Abstract
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.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 17495-17502 |
| Number of pages | 8 |
| Journal | Journal of Physical Chemistry C |
| Volume | 115 |
| Issue number | 35 |
| DOIs | |
| State | Published - Sep 8 2011 |
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- General Energy
- Physical and Theoretical Chemistry
- Surfaces, Coatings and Films