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NK Kanellopoulos

Publications and source records attributed to NK Kanellopoulos.

6 recordsLinked to original sources

Structural and Transport Properties of Alumina Porous Membranes from Process-Based and Statistical Reconstruction Techniques.

We study the structural and transport properties of two model porous membranes made by compaction of spherical monosize gamma-alumina particles. A ballistic deposition process of spherical particles has been employed as a process-based representation method for accurately simulating the pore structure of the membranes. Comparison between the computed and experimental permeability values obtained in the Knudsen regime shows very good agreement for both membranes and indicates that sufficient representation of the original pore structure is achieved with the random sphere packs. In a further step, a medium with the same porosity and autocorrelation function as the sphere pack has been stochastically reconstructed. Comparison between the structural properties of the random sphere pack system (process-based model) and the stochastically reconstructed medium (statistical model) shows nearly identical correlation functions and pore chord length distributions but widely different mass chord length distributions. This is reflected to a significant difference in the prediction of a dynamic property like the Knudsen permeability by a factor of about 4. The results suggest that matching of the porosity and the two-point correlation function alone is not always adequate when pursuing an accurate representation of the structure of a porous material. In such cases, higher order statistical properties of the material contained in the chord length distribution of both pore and solid phase should be satisfied as well. It is also found that proper account of the formation process in the reconstruction of a porous material (process-based model) leads to representations of its structure more accurate than those of statistical reconstruction models. Copyright 2000 Academic Press.

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The Structure of Adsorbed CO(2) in Slitlike Micropores at Low and High Temperature and the Resulting Micropore Size Distribution Based on GCMC Simulations.

The Monte Carlo method is used in its grand ensemble variant in combination with CO(2) experimental isotherm data at low (195.5 K) and high temperatures (at 298 and 308 K, i.e., slightly below and above the CO(2) critical temperature, respectively) to characterize microporous carbons and obtain the corresponding pore size distribution (PSD). Specifically, the CO(2) density inside a single, slit-shaped, graphitic pore of given width is found on the basis of grand canonical Monte Carlo (GCMC) simulations for a predefined temperature and different relative pressures. The simulation results provide useful insights concerning the densification process in the micropores and the structure of the CO(2) molecules packing in the individual pores as the temperature or pressure changes from 195.5 K to ambient or from very low to 70 bar, respectively. Effects of temperature, pore size, quadrupole interactions, and molecule elongation on the local density profile within the pore are examined and discussed. In an additional step, we determine the optimal PSD for which the best match is obtained between computed and measured CO(2) isotherms. Comparisons are made between the PSDs found for the same carbon sample at low and high temperatures and conclusions are drawn concerning the applicability of the method and the reliability of the resulting micropore size distributions. Copyright 2000 Academic Press.

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Adsorption-Desorption Flow of Condensable Vapors through Mesoporous Media: Network Modeling and Percolation Theory.

Flow of condensable vapors in mesoporous media is investigated theoretically and experimentally during adsorption and desorption processes. A typical permeability curve of a condensable vapor is strongly enhanced in the capillary condensation region. This is because additional capillary pressure gradients are imposed on the capillary-condensed pores, which act as "good" conductors compared to the noncondensed pores, which are considered "poor" conductors. The percolation scaling properties that hold for a system of "good" and "poor" conductors are confirmed for the cases examined. As the ratio of gas flow/capillary-enhanced flow decreases, the rise of permeability with pressure becomes sharper. The network connectivity has a strong impact on the maximum permeability value and on the width of the scaling law regions. The contribution of surface flow does not affect the permeability in the peak region, but results in a shrinkage of the scaling law regions. During desorption, a marked hysteresis in the permeability curves is found and it is attributed only to thermodynamic hysteresis. The maximum permeability values in this case are higher and shifted to lower relative pressures. Copyright 2000 Academic Press.

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Diffusion in a Fractal System.

The surface geometry of Vycor porous glass was examined by using the relative permeability (PR) technique in a H2O/He system. At a water relative pressure of approximately 0.3, a maximum is observed on the PR curve. This maximum is explained in terms of geometrical changes taking place due to the deposition of a water film on the internal Vycor surface. When the sample is dry, diffusion in a fractal system is found to be more appropriate in describing the process. When the sample is wet, the diffusion process obeys classical Knudsen theory for smooth cylinders. Copyright 1998 Academic Press.

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The Surface Geometry of Vycor

The interface geometry of Vycor porous glass was examined by adsorption of water in conjunction with small-angle scattering of X rays and neutrons. When the sample is dry, a fractal surface with a fractal dimension D approximately 2.5 was detected. When wet, a soft hydrogel is formed, resulting in a diffuse boundary. To observe a fractal surface, thorough drying of the sample is necessary, however. It was shown that a small amount of water, 3% w/w, is sufficient to render the surface smooth. Copyright 1997Academic Press

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