Gas adsorption and accumulation on hydrophobic surfaces: Molecular dynamics simulations
Luo Qing-Qun, Yang Jie-Ming†
Gas adsorption and accumulation on hydrophobic surfaces: Molecular dynamics simulations |
|
Luo Qing-Qun, Yang Jie-Ming†
|
| Density distributions of system, water, and gas at 20 ps obtained by simulation of Case 4. The diagram shows that the densities of the system and the liquid were significantly reduced on either side of the substrate, but the density of the gas was almost unchanged. Note that the positions 0 and 10 on the x axis are the same under periodic boundary conditions and they are the location of the substrate. |
| |