Simulations of Phenol Adsorption onto Activated Carbon and Carbon Black
Grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations have been used to study the adsorption of phenol onto carbon materials. Activated carbon was modelled in terms of its pore-size distribution based on DFT methods, while carbon black was represented by a single carbon slab wit...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
SAGE Publishing
2010-11-01
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| Series: | Adsorption Science & Technology |
| Online Access: | https://doi.org/10.1260/0263-6174.28.8-9.797 |
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