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Adsorption of water, methanol, and their mixtures in slit graphite pores
The behavior of water, methanol, and water-methanol mixtures confined in narrow slit graphite pores as a function of pore size was investigated by Monte Carlo, hybrid Monte Carlo, and Molecular Dynamics simulations. Interactions were described using TIP4P/2005 for water, OPLS/2016 for methanol, and...
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| Publicat a: | J Chem Phys |
|---|---|
| Autors principals: | , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
AIP Publishing LLC
2019
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6910600/ https://ncbi.nlm.nih.gov/pubmed/30646695 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.5078603 |
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