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Entropy of single-file water in (6,6) carbon nanotubes
We used molecular dynamics simulations to investigate the thermodynamics of filling of a (6,6) open carbon nanotube (diameter D = 0.806 nm) solvated in TIP3P water over a temperature range from 280 K to 320 K at atmospheric pressure. In simulations of tubes with slightly weakened carbon-water attrac...
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| Main Authors: | , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American Institute of Physics
2012
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3422367/ https://ncbi.nlm.nih.gov/pubmed/22852646 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4737842 |
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