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The use of IAST for alcohol/water breakthrough separation simulations on all silica beta zeolite

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Abstract

This paper investigates the use of the Ideal Adsorbed Solution Theory (IAST) for alcohol/water breakthrough separation simulations on an all-silica beta zeolite. Because of its very hydrophobic nature, this zeolite presents peculiar isotherms for water and the alcohols, 2-methylpropan-1-ol, and ethanol. Isotherm fitting was performed using the Dual Langmuir-Sips (DLS) model for 2-methylpropan-1-ol and ethanol, while the Brunauer–Emmett–Teller (BET) model was chosen for water. To overcome the issues for evaluating the BET spreading pressure integral during IAST calculations, its isotherm at high partial pressures was limited to a capacity where its pore volume equals the pore volume occupied by ethanol and 2-methylpropan-1-ol. A 1D, trace, isothermal, axially dispersed plug flow model was employed to simulate and predict breakthrough curves for binary and ternary mixtures containing 2-methylpropan-1-ol, ethanol, and water. The IAST breakthrough separation simulations were validated with experimental data where both the equilibrium and dynamic behavior match well. This study concludes that IAST can be applied to alcohol/water mixtures when it is combined with a uniform and almost defect-free all-silica adsorbent.

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The authors confirm that the data supporting the findings of this study are available within the article and can be shared upon request to the corresponding author.

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Acknowledgements

The authors are grateful to Prof. Fernando Rey and Dr. Susana Valencia for providing a sample of all-Si beta zeolite.

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Authors and Affiliations

  1. Department of Chemical Engineering, Vrije Universiteit Brussel, Pleinlaan 2, Brussels, 1050, Belgium

    Gille R. Wittevrongel, Tom R. C. Van Assche & Joeri F. M. Denayer

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  1. Gille R. Wittevrongel
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  2. Tom R. C. Van Assche
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  3. Joeri F. M. Denayer
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Contributions

All authors contributed to the study conception and design. Material preparation, data collection and analysis were performed by G.W. Numerical simulations were performed by G.W. The first draft of the manuscript was written by G.W. and all authors commented on previous versions of the manuscript. All authors read and approved the final manuscript.

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Correspondence to Joeri F. M. Denayer.

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Wittevrongel, G.R., Van Assche, T.R.C. & Denayer, J.F.M. The use of IAST for alcohol/water breakthrough separation simulations on all silica beta zeolite. Adsorption (2024). https://doi.org/10.1007/s10450-024-00457-8

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