Towards the description of water adsorption in slit-like nanochannels with grafted molecular brushes. Density functional theory
We have explored a model for adsorption of water into slit-like nanochannels with two walls chemically modified by grafted polymer layers forming brushes. A version of density functional method is used as theoretical tools. The water-like fluid model adopted from the work of Clark et al. [Mol. Phys....
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Institute for Condensed Matter Physics
2020-05-01
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| Series: | Condensed Matter Physics |
| Subjects: | |
| Online Access: | https://doi.org/10.5488/CMP.23.23604 |