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Title: Uncertainty in pore size distribution derived from adsorption isotherms: II. adsorption integral approach
Authors: Madani, S. Hadi
Diaz, L.H.
Biggs, Mark J.
Pendleton, Phillip
Keywords: Adsorption
Pore size distribution
Uncertainty
Porous solids
Issue Date: 2015
Publisher: © Elsevier
Citation: MADANI, S.H. ...et al., 2015. Uncertainty in pore size distribution derived from adsorption isotherms: II. adsorption integral approach. Microporous and Mesoporous Materials, 214, pp. 217-223.
Abstract: Uncertainty in the amount adsorbed in manometric adsorption isotherm measurements is well established. Here, we extend uncertainty methodologies from adsorption isotherm data uncertainty and apply them to calculate pore size distributions based on adsorption integral methods. The analyses consider as variables: uncertainty in adsorption isotherm data, regularization parameter, molecular potential model, and the number of single pore isotherms calculated with an associated quadrature interval. We demonstrate how the calculated pore size distribution is quite insensitive to the uncertainty in experimental data, but in contrast, the uncertainty in the experimental data affects the calculated value of the optimized regularization parameter which, in turn, leads to considerable variation in the calculated pore size distribution. The calculated pore size distribution is also shown to be highly dependent on the potential model selected and on the number of single pore isotherms applied to the inversion process. We conclude and suggest a quantitative comparison between calculated pore size distributions should be discouraged unless the uncertainty in the experimental data is relatively small and, default values for regularization parameters, potential models, the number of single pore isotherms and their distribution are exactly the same for each pore size distribution evaluation.
Description: This paper was accepted for publication in the journal Microporous and Mesoporous Materials and the definitive published version is available at http://dx.doi.org/10.1016/j.micromeso.2015.04.030
Sponsor: The authors thank the Australian Research Council discovery program (DP110101293) for funding support and S.H.M also thanks the University of South Australia for a postgraduate research scholarship.
Version: Accepted for publication
DOI: 10.1016/j.micromeso.2015.04.030
URI: https://dspace.lboro.ac.uk/2134/18856
Publisher Link: http://dx.doi.org/10.1016/j.micromeso.2015.04.030
ISSN: 1387-1811
Appears in Collections:Published Articles (Chemistry)

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