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f° and S° values where available [Standard thermodynamic properties of chemical substances, in: D.R. Lide (Ed.), CRC Handbook of Chemistry and Physics, 88th ed. (Internet Version 2008), CRC Press/Taylor and Francis, Boca Raton, FL, 2008; P.J. Linstrom, W.G. Mallard (Eds.), NIST Chemistry WebBook, NIST Standard Reference Database Number 69 National Institute of Standards and Technology, Gaithersburg, MD, http://webbook.nist.gov, (retrieved March 13, 2008)] or from group contribution theory otherwise [Prediction and correlation of physical properties, in: D.W. Green (Ed.), Perry's Chemical Engineers' Handbook, seventh ed., McGraw Hill, New York, 1997].
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f° and S° values where available [Standard thermodynamic properties of chemical substances, in: D.R. Lide (Ed.), CRC Handbook of Chemistry and Physics, 88th ed. (Internet Version 2008), CRC Press/Taylor and Francis, Boca Raton, FL, 2008; P.J. Linstrom, W.G. Mallard (Eds.), NIST Chemistry WebBook, NIST Standard Reference Database Number 69 National Institute of Standards and Technology, Gaithersburg, MD, http://webbook.nist.gov, (retrieved March 13, 2008)] or from group contribution theory otherwise [Prediction and correlation of physical properties, in: D.W. Green (Ed.), Perry's Chemical Engineers' Handbook, seventh ed., McGraw Hill, New York, 1997].
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The FAU structure contains 192 T atoms (either Si or Al) per unit cell and 8 supercages per unit cell [G.H. Kühl, Modification of zeolites, in: J. Weitkamp, L. Puppe (Eds.), Catalysis and Zeolites, Springer, Berlin, 1999, p. 89], giving 24 T atoms per supercage. The average number of Al atoms per supercage is then 24/(1 + R), where R is the Si/Al ratio. The MFI structure contains 96 T atoms and 4 channel intersections per unit cell [B. Millot, A. Méthivier, H. Jobic, H. Moueddeb, J.A. Dalmon, Micropor. Mesopor. Mater. 38 (2000) 85], giving 24 T atoms per channel intersection, so that the average number of Al atoms per channel intersection is also 24/(1 + R).
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The FAU structure contains 192 T atoms (either Si or Al) per unit cell and 8 supercages per unit cell [G.H. Kühl, Modification of zeolites, in: J. Weitkamp, L. Puppe (Eds.), Catalysis and Zeolites, Springer, Berlin, 1999, p. 89], giving 24 T atoms per supercage. The average number of Al atoms per supercage is then 24/(1 + R), where R is the Si/Al ratio. The MFI structure contains 96 T atoms and 4 channel intersections per unit cell [B. Millot, A. Méthivier, H. Jobic, H. Moueddeb, J.A. Dalmon, Micropor. Mesopor. Mater. 38 (2000) 85], giving 24 T atoms per channel intersection, so that the average number of Al atoms per channel intersection is also 24/(1 + R).
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