Gas adsorption in active carbons and the slit-pore model 1: pure gas adsorption

M.B. Sweatman, N. Quirke

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Abstract

We describe procedures based on the polydisperse independent ideal slit-pore model, Monte Carlo simulation and density functional theory (a 'slab-DFT') for predicting gas adsorption and adsorption heats in active carbons.A novel feature of this work is the calibration of gas-surface interactions to a high surface area carbon, rather than to a low surface area carbon as in all previous work. Our models are used to predict the adsorption of carbon dioxide, methane, nitrogen, and hydrogen up to 50 bar in several active carbons at a range of near-ambient temperatures based on an analysis of a single 293 K carbon dioxide adsorption isotherm. The results demonstrate that these models are useful for relatively simple gases at near-critical or supercritical temperatures.
Original languageEnglish
Pages (from-to)10381-10388
Number of pages8
JournalJournal of Physical Chemistry B
Volume109
Issue number20
DOIs
Publication statusPublished - May 2005

Keywords

  • gas adsorption
  • active carbons
  • carbon
  • aslit-pore model 1
  • pure
  • chemical engineering

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