Quenched solid density functional theory method for characterization of mesoporous carbons by nitrogen adsorption |
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Authors: | Gennady Yu Gor Matthias Thommes Katie A Cychosz Alexander V Neimark |
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Affiliation: | 1. Rutgers University, Department of Chemical and Biochemical Engineering, 98 Brett Road, Piscataway, NJ 08854, USA;2. Quantachrome Instruments, Boynton Beach, FL 33426, USA |
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Abstract: | Quenched solid density functional theory (QSDFT) model for characterization of mesoporous carbons using nitrogen adsorption is extended to cylindrical and spherical pore geometries. The kernels of theoretical isotherms in the range from 0.4 to 50 nm are constructed accounting for different possible variations of the pore shapes in micropore and mesopore regions. The results of QSDFT method are illustrated with experimental data on adsorption on novel CMK-3 and 3DOm carbons. The proposed method is recommended for pore size distribution calculations for micro–mesoporous carbons obtained through various templating mechanisms. |
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