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• W1985995046 abstract "In this work, we show that the standard slit pore model widely used for the characterization of activated carbons may be improved by introducing structural and/or energetical heterogeneity to the surface of pore walls. The existing one dimensional slit pore model assumes graphite-like energetically uniform pore walls. As a result of this assumption adsorption isotherms calculated by the non local density functional theory (NLDFT) do not fit accurately the experimental N2 data measured for real activated carbons. Assuming a graphene-based structural framework for activated carbons and using a 2D-NLDFT treatment of the fluid density in the pores we consider two options for model pores: energetically heterogeneous (EH) and geometrically corrugated (GC). For testing, we applied these two models to the pore size analysis of porous carbons that were giving poor results of the analysis with the standard slit model. We found that the typical artifacts of the homogeneous slit pore model were eliminated. Also, the agreement of the new models with experimental data was significantly better than that of the standard slit model." @default.
• W1985995046 created "2016-06-24" @default.
• W1985995046 creator A5046755028 @default.
• W1985995046 creator A5082186803 @default.
• W1985995046 date "2013-04-01" @default.
• W1985995046 modified "2023-10-17" @default.
• W1985995046 title "2D-NLDFT adsorption models for carbon slit-shaped pores with surface energetical heterogeneity and geometrical corrugation" @default.
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• W1985995046 doi "https://doi.org/10.1016/j.carbon.2012.12.011" @default.
• W1985995046 hasPublicationYear "2013" @default.
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