Detalhes do Documento

Predicting adsorption of water/organic mixtures using molecular simulation

Autor(es): Miguel Jorge cv logo 1 ; Nigel A. Seaton cv logo 2

Data: 2003

Identificador Persistente:

Origem: Repositório Aberto da Universidade do Porto

Assunto(s): Química molecular, Engenharia química

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.
Tipo de Documento Artigo
Idioma Inglês
Editor(es) Faculdade de Engenharia
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