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Simulation Study for the Adsorption of Carbon Disulfide on Hydroxyl Modified Activated Carbon
In this study, grand canonical Monte Carlo simulations (GCMC) and molecular dynamics simulations (MD) were used to construct models of activated carbon with hydroxyl-modified hexachlorobenzene basic unit contents of 0%, 12.5%, 25%, 35% and 50%. The mechanism of adsorption of carbon disulfide (CS(2))...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10303832/ https://www.ncbi.nlm.nih.gov/pubmed/37375182 http://dx.doi.org/10.3390/molecules28124627 |