Simulation study of the effect of the chemical heterogeneity of activated carbon on water adsorption

In this paper we present results from the molecular simulation of water adsorption in slit-shaped activated carbon pores. We calculate adsorption isotherms by grand canonical Monte Carlo (GCMC) simulation, Henry's constants by Monte Carlo integration, and vapor-liquid equilibrium data by the ga...

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Detalhes bibliográficos
Autor principal: Miguel Jorge (author)
Outros Autores: Christian Schumacher (author), Nigel A. Seaton (author)
Formato: article
Idioma:eng
Publicado em: 2002
Assuntos:
Texto completo:https://repositorio-aberto.up.pt/handle/10216/99781
País:Portugal
Oai:oai:repositorio-aberto.up.pt:10216/99781