Paper Citing NAMD - Abstract
Zhao, Kuiwen; Wu, Huiying
Size Effects of Pore Density and Solute Size on Water Osmosis through Nanoporous Membrane
JOURNAL OF PHYSICAL CHEMISTRY B, 116:13459-13466, NOV 15 2012
Understanding the behavior, of osmotic transport across nanoporous membranes at molecular level is critical to, their design and applications, and it is also beneficial to the comprehension of the mechanism of biological transmembrane transport processes pore density is an important parameter for nanoporous membranes. To better understand the influence of pore density on osmotic transport, we have performed Systematic molecular dynamics simulations on water osmosis across nanoporous membranes with different pore densities (i.e.,. number of pores per unit area of membrane): The simulation results reveal that significant size effects occur, when the pore density is so high that the center to center distance between neighboring nanopores is comparable to the solute size. The size effects are independent of the pore diameter and solute concentration. A simple quantitative Correlation between pore density, solute size, and osmotic flux has been established. The results are excellently consistent with the theoretical predictions. If is also shown that solute hydration plays an important role in real osmotic processes. Solute. hydration strengthens the size effects of pore density On osmotic processes due to the enlarged effective solute size induced by hydration The influence of-pore:density, Solute size, and solute hydration on water osmosis through nanoporous membranes can be introduced to eliminate. the,deviations of real osmotic processes from ideal behavior.
