4.6 Article

A new model for capillary condensation-evaporation hysteresis based on a random corrugated pore structure concept: Prediction of intrinsic pore size distribution. 2. Model application

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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
卷 39, 期 10, 页码 3764-3777

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AMER CHEMICAL SOC
DOI: 10.1021/ie000163w

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A performance assessment of the corrugated pore structure model (CPSM), developed in part 1 (Ind. Eng. Chem. Res. 2000, 39, 3747), is carried out through a simulation of experimental gas sorption hysteresis, covering all IUPAC versions and that of the novel MCM-41 materials. The materials studied are an anodic aluminum oxide film, HDS catalysts, montmorillonite, lignite, pillared clays, and MCM-41. CPSM evaluations of pore surface areas are consistent with the pertinent BET estimates while for partly microporous structures approach those obtained by the restricted adsorption BET variant. CPSM predictions of pore size distribution (psd) have been compared with those obtained by the Roberts method. In several examples, the latter method, when applied exclusively to condensation data, yielded psd's approaching the relevant CPSM distributions while, in other examples, by using evaporation data only, deduced psd's comparable to those yielded by the CPSM model. CPSM predictions are in partial agreement with the novel molecular simulation and the NLDFT theories. The CPSM model proved to be a simple, flexible, purely analytical model enabling meaningful predictions of intrinsic pad's and evaluations of a statistical pore shape parameter (N(s)) related to pore structure tortuosity.

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