Modified Horvath-Kawazoe method

Figure I Relation between filling pressure and pore width predicted by the modified Kelvin equation (MK), the Horvath-Kawazoe method (HK), density Junctional theory (DFT), and molecidar simulation (points) for nitrogen adsorption in carbon slits at 77 K [8].

A MODIFIED HORVATH-KAWAZOE METHOD FOR MICROPORE SIZE ANALYSIS... 

A modified Horvath-Kawazoe method for micropore size analysis... 

Lastoskie, C.M. (2000). A modified Horvath—Kawazoe method for micropore size analysis. In Studies in Surface Science and Catalysis, Elsevier, Amsterdam, Vol. 128 (K. Unger et al., eds). pp. 475—84. 

In this paper, a modified HK method is presented which accounts for spatial variations in the density profile of a fluid (argon) adsorbed within a carbon slit pore. We compare the pore width/filling pressure correlations predicted by the original HK method, the modified HK method, and methods based upon statistical thermodynamics (density functional theory and Monte Carlo molecular simulation). The inclusion of the density profile weighting in the HK adsorption energy calculation improves the agreement between the HK model and the predictions of the statistical thermodynamics methods. Although the modified Horvath-Kawazoe adsorption model lacks the quantitative accuracy of the statistical thermodynamics approaches, it is numerically convenient for ease of application, and it has a sounder molecular basis than analytic adsorption models derived from the Kelvin equation. 

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