Abstract
The effect of pore wall-liquid interaction on the liquid transport through a nanopore in a membrane was studied by an improved pressure-driven non-equilibrium molecular dynamics (NEMD) method. The NEMD results showed that pressures in the reservoirs were constant and were equal to the pressures externally exerted on the self-adjusting plates that drove the flow; pressures in the nanopore decreased monotonically in the stream-wise direction when the solid wall-liquid had weak or neutral interaction, but exhibited a different distribution pattern in the case of the solid wall-liquid exhibiting strong attractive interaction. The transport ability of the nanopore depended significantly on the pore wall-liquid interaction.
Original language | English |
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Pages (from-to) | 793-798 |
Number of pages | 6 |
Journal | Journal of Nanoscience and Nanotechnology |
Volume | 9 |
Issue number | 2 |
DOIs | |
State | Published - Feb 2009 |
Externally published | Yes |
Keywords
- Membrane
- Molecular dynamics simulation
- Nanopore
- Pressure-Driven flow
- Solid Wall-Liquid interaction