Theoretical analysis of adsorption of various compounds onto hydrophilic and hydrophobic silicas compared to activated carbons
The aim of this study was to analyze various theoretical models (clusters, systems with periodic boundary conditions) and methods, which could be applied to investigate the adsorption phenomena and for better interpretation of the experimental data. The density functional theory (DFT) and semiempir...
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| Main Author: | |
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| Format: | Article |
| Language: | English |
| Published: |
Chuiko Institute of Surface Chemistry of NAS of Ukraine
2019-11-01
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| Series: | Хімія, фізика та технологія поверхні |
| Subjects: | |
| Online Access: | https://cpts.com.ua/index.php/cpts/article/view/519 |
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