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Discrete Modeling Approach for Cluster-Based Excess Gibbs-Energy of Molecular Liquids
[Image: see text] The excess Gibbs-energy of a two-component liquid molecular mixture is modeled based on discrete clusters of molecules. These clusters preserve the three-dimensional geometric information about local molecule neighborhoods that inform the interaction energies of the clusters. In te...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10682997/ https://www.ncbi.nlm.nih.gov/pubmed/38037622 http://dx.doi.org/10.1021/acs.iecr.3c03084 |