Predicting the adsorption of -perfluorohexane (-CF) on BAM-P109 activated carbon using an force field
The adsorption isotherm of n -perfluorohexane on BAM-P109 activated carbon was predicted using an ab initio force field and a slit-like pore model representing the activated carbon. The force field parameters were derived from data calculated using quantum mechanics density functional theory with di...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Hindawi - SAGE Publishing
2016-02-01
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| Series: | Adsorption Science & Technology |
| Online Access: | https://doi.org/10.1177/0263617415619532 |