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...
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| Date: | 2007 |
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| Main Authors: | , |
| Format: | Article |
| Language: | English |
| Published: |
Інститут фізики конденсованих систем НАН України
2007
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| Series: | Condensed Matter Physics |
| Online Access: | http://dspace.nbuv.gov.ua/handle/123456789/118192 |
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| Journal Title: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Cite this: | Molecular dynamics study of aqueous uranyl in hydrophilic mesoporous confinement: the case of slit-like pore in amorphous silica / T. Patsahan, M. Holovko // Condensed Matter Physics. — 2007. — Т. 10, № 2(50). — С. 143-150. — Бібліогр.: 15 назв. — англ. |