Gas Adsorption in Active Carbons and the Slit-Pore Model 1: Pure Gas Adsorption
نویسندگان
چکیده
منابع مشابه
Gas adsorption in active carbons and the slit-pore model 1: Pure gas adsorption.
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. Ou...
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We describe a slit-pore model and a fast density functional theory (a 'slab-DFT') that predict gas adsorption and the isosteric heat in active carbons. The DFT parameters are fitted to reproduce adsorption isotherms of each pure gas in graphitic slit pores generated by Monte-Carlo simulation. A novel feature of this work is that gas surface interactions are calibrated to a high surface area car...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2005
ISSN: 1520-6106,1520-5207
DOI: 10.1021/jp045273l