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Multicomponent adsorption in mesoporous flexible materials with flat-histogram Monte Carlo methods
We demonstrate an extensible flat-histogram Monte Carlo simulation methodology for studying the adsorption of multicomponent fluids in flexible porous solids. This methodology allows us to easily obtain the complete free energy landscape for the confined fluid-solid system in equilibrium with a bulk...
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| Publicado no: | J Chem Phys |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5206665/ https://ncbi.nlm.nih.gov/pubmed/27825240 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4966573 |
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