Please use this identifier to cite or link to this item: https://hdl.handle.net/10216/49863
Author(s): Miguel Jorge
Nigel A. Seaton
Title: Predicting adsorption of water/organic mixtures using molecular simulation
Issue Date: 2003
Abstract: The use of Monte Carlo simulation to predict the adsorption of mixtures of polar and nonpolar species on activated carbon was investigated using water and ethane on BPL carbon as a prototype system. The structure of the adsorbent was modeled by an array of slit-shaped pores, characterized by a pore-size distribution. The chemical heterogeneity of the carbon was taken into account by including oxygen-containing sites on the surface of the pores. The pore-size distribution was obtained from pure-ethane adsorption on the same carbon sample, while the concentration and distribution of surface sites were determined by analyzing pure-water adsorption. Model predictions agree well with experimental multicomponent data.
Subject: Química molecular, Engenharia química
Molecular chemistry, Chemical engineering
Scientific areas: Ciências da engenharia e tecnologias::Engenharia química
Engineering and technology::Chemical engineering
URI: https://repositorio-aberto.up.pt/handle/10216/49863
Document Type: Artigo em Revista Científica Internacional
Rights: openAccess
License: https://creativecommons.org/licenses/by-nc/4.0/
Appears in Collections:FEUP - Artigo em Revista Científica Internacional

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