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A study of the thermal properties of the zeolite MFI by a combination of experimental measurements and lattice dynamical modeling is presented. Thermal conductivity data in the range of 150–400 K was obtained through 3ω measurements on polycrystalline zeolite films. While Debye theory is inadequate in predicting the zeolite thermal properties, a detailed calculation of the specific heat using a full set of dispersion relations obtained from atomistic simulations gives excellent agreement with experiments. In addition, the thermal conductivity is successfully reproduced by a phonon relaxation time–based model. The results indicate the possibility of developing a predictive model of the thermal properties of complex zeolite materials.
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Greenstein et al. (2006) studied this question.
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