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Prediction of Adsorption and Diffusion Behaviors of CO(2) and CH(4) in All-Silica Zeolites Using Molecular Simulation
Computational chemistry is a promising technique for the prediction of material properties. Adsorption and diffusion behaviors in zeolite micropores are important for zeolite membranes. In this study, we investigated novel non-bonding interaction parameters of all-silica zeolites for the prediction...
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| Publicado no: | Membranes (Basel) |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
MDPI
2021
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8228463/ https://ncbi.nlm.nih.gov/pubmed/34073331 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/membranes11060392 |
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