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Heterogeneous Nucleation of Butanol on NaCl: A Computational Study of Temperature, Humidity, Seed Charge, and Seed Size Effects
[Image: see text] Using a combination of quantum chemistry and cluster size distribution dynamics, we study the heterogeneous nucleation of n-butanol and water onto sodium chloride (NaCl)(10) seeds at different butanol saturation ratios and relative humidities. We also investigate how the heterogene...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8054243/ https://www.ncbi.nlm.nih.gov/pubmed/33788572 http://dx.doi.org/10.1021/acs.jpca.0c10972 |