Molecular dynamics study of aqueous uranyl in hydrophilic mesoporous confinement: the case of slit-like pore in amorphous silica
Molecular dynamics simulations are used to study structural and dynamic properties of water and aqueous uranyl ion adsorbed in a slit-like pore of amorphous silica. Calculations are performed for the flexible SPC/E water model in the atomistically detailed pores with sizes in the range of 2.0-5.0 nm...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Institute for Condensed Matter Physics
2007-01-01
|
| Series: | Condensed Matter Physics |
| Subjects: | |
| Online Access: | http://dx.doi.org/10.5488/CMP.10.2.143 |