Characterisation of the surface chemistry of activated carbon by molecular simulation of water adsorption

• Tipo: Artigo em Livro de Atas de Conferência Internacional
• Data: 2002

Autores

Miguel Jorge (Autor) FEUP; Nigel Seaton (Autor) Outra

Ata de Conferência Internacional

Título: STUDIES IN SURFACE SCIENCE AND CATALYSIS

Páginas: 131-138

CHARACTERIZATION OF POROUS SOLIDS VI

ALICANTE, SPAIN, MAY 08-11, 2002

Indexação

ISI Web of Science

Classificação Científica

CORDIS: Ciências Físicas > Química > Química molecular

Outras Informações

Abstract (EN): We propose a model for activated carbon incorporating both structural and chemical heterogeneity. Structural heterogeneity is represented by an array of slit-shaped pores, characterised by a pore size distribution. This distribution was calculated from experimental data on pure-component adsorption of ethane, using Grand Canonical Monte Carlo simulations to describe adsorption at the individual pore level. Chemical heterogeneity is represented in our model by including oxygen-containing surface sites. The results from molecular simulation in the model carbon are compared to the experimental pure-water adsorption isotherm on the same sample. From such a comparison, one is able to draw conclusions regarding the, concentration and distribution of surface sites in pores of different, width.

Idioma: Português

Tipo (Avaliação Docente): Científica