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Computational Investigation of Correlations in Adsorbate Entropy for Pure-Silica Zeolite Adsorbents ()
Vast numbers of unstudied hypothetical porous frameworks continue to spark interest in optimizing adsorption and catalytic processes. Evaluating the use of such materials depends on the accessibility of thermodynamic metrics such as the free energy, which, in turn, depend on the satisfactory estimat...
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| 發表在: | J Phys Chem C Nanomater Interfaces |
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| Main Authors: | , , , , , |
| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
2020
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| 主題: | |
| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7905991/ https://ncbi.nlm.nih.gov/pubmed/33643514 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcc.0c02671 |
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