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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Bibliographic Details
Main Authors: Claudia Prosenjak, João M. Valente Nabais, Carlos E. Laginhas, Peter J.M. Carrott, Manuela M.L. Ribeiro Carrott
Format: Article
Language:English
Published: SAGE Publishing 2010-11-01
Series:Adsorption Science & Technology
Online Access:https://doi.org/10.1260/0263-6174.28.8-9.797
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