@inproceedings{02a702586f60494383da1c9fa93cfc9b,
title = "Characterisation of the surface chemistry of activated carbon by molecular simulation of water adsorption",
abstract = "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.",
keywords = "characterisation, surface chemistry, activated carbon , molecular simulation, water adsorption",
author = "M Jorge and Seaton, {N A}",
year = "2002",
doi = "10.1016/S0167-2991(02)80229-4",
language = "English",
isbn = "9780444512611 ",
series = "Studies in Surface Science and Catalysis",
publisher = "Elsevier",
pages = "131--138",
editor = "F RodriguezReinoso and B McEnaney and J Rouquerol and K Unger",
booktitle = "Characterization of Porous Solids VI",
note = "6th International Symposium on Characterization of Porous Solids (COPS-VI) ; Conference date: 08-05-2002 Through 11-05-2002",
}