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Statistical analysis of Al distributions and metal ion pairing probabilities in zeolites

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Abstract

The distributions of Al tetrahedral sites are studied as a function of Si : Al ratio (from 11 to 95) in three zeolites: ZSM-5, ferrierite, and mordenite. Al configurations obeying Loewenstein’s rule are generated by a Monte Carlo procedure and analyzed in terms of accessibility to specific channels. The distribution of pairs of Al sites accessible to the same channel segregates into distinct nearest-neighbor and ring-bridging types. Such pairs provide favorable binding environments for extraframework MOxM2+ cations in the metal-ion-exchanged forms of the zeolites. In all three zeolites, the probability of a given Al site having at least one suitable partner for pairing within 8.5 Å is close to unity for typical Si : Al ratios. The probability at shorter distances is more sensitive to the zeolite structure, reflecting the larger number of highly puckered five- and six-membered rings in ZSM-5. This sensitivity, and its implications for CuOxCu2+ formation in the three Cu-exchanged forms, may explain why Cu-ZSM-5 is the most active of the three for catalytically decomposing NO.

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Authors and Affiliations

  1. Ford Research Laboratory, MD 2122/SRL, Dearborn, MI, 48121-2053, USA

    B.R. Goodman, K.C. Hass & W.F. Schneider

  2. Department of Chemical, Bio and Materials Engineering, Arizona State University, Tempe, AZ, 85287, USA

    J.B. Adams

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  1. B.R. Goodman
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  2. K.C. Hass
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  3. W.F. Schneider
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  4. J.B. Adams
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Goodman, B., Hass, K., Schneider, W. et al. Statistical analysis of Al distributions and metal ion pairing probabilities in zeolites. Catalysis Letters 68, 85–93 (2000). https://doi.org/10.1023/A:1019066916541

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