COMPUTER SIMULATION STUDY OF THE DIFFUSION OF WATER MOLECULES CONFINED IN SILICA GEL
The molecular dynamics simulations are used to study the dynamic properties of SPC/E water molecules confined in silica gel. The model proposed in this study covers three main features that characterize systems of that kind: the excluded volume due to the substrate presence, strong attraction betwee...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Institute for Condensed Matter Physics
2004-01-01
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| Series: | Condensed Matter Physics |
| Subjects: | |
| Online Access: | http://dx.doi.org/10.5488/CMP.7.1.3 |