Retrieving the size distribution of SBA-15 mesopores from small-angle X-ray scattering data using a Monte Carlo method

Tan, X.; Gerbelli, B.B.; Fantini, M.C.A.; Oliveira, C.L.P.; Bordallo, H.N.; Oseliero Filho, P.L.

doi:10.1107/S160057672300691X

Figure 4
(a) Simulated SAXS data of SBA-15 (black filled circles) using typical values as input (Table 3

), fitted with the SBA-15+MC model (red continuous line). (b) Mesopore size distribution obtained using the SBA-15+MC model procedure superimposed onto the D(r ) function used as input for the simulated data (black continuous line). The fit with the MC procedure was repeated ten times, which allowed us to estimate the statistical variance of each histogram bin. For comparison purposes, we show the histogram of one of the initial uniform distributions used in the optimization (light-blue bars). (c) Experimental SAXS data of SBA-15 (black filled circles) fitted with both the SBA-15+MC (red continuous line) and SBA-15 models (blue continuous line). (d) Mesopore size distribution [as described in the caption for (b)] obtained using the SBA-15+MC model superimposed onto the function D(r ) determined by the SBA-15 model. (e) Simulated SAXS data of SBA-15 with expanded mesopores (black filled circles) using the values given in Table 3

as input. The fit was performed with both the SBA-15+MC (red continuous line) and SBA-15 models (blue continuous line). (f) Simulated size distribution (black continuous line) superimposed onto mesopore size distribution [as described in the caption for (b)] obtained using the SBA-15+MC model superimposed onto the function D(r ) evaluated by the SBA-15 model.

JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

ISSN: 1600-5767

Volume 56| Part 5| October 2023| Pages 1381-1391

https://doi.org/10.1107/S160057672300691X

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