Crucial role of alkali metal ions and Si/Al ratio in selective adsorption of 1-octene using faujasite zeolites

Park, Hui Seon; Cho, Dong‐Woo; Kim, Kwangsoo; Kim, Byung-Hyun; Park, Jongkee; Yoo, Chung‐Yul; Jung, Timothy

doi:10.1016/j.seppur.2023.123531

Separation and Purification Technology

2023

DOI: 10.1016/j.seppur.2023.123531

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Crucial role of alkali metal ions and Si/Al ratio in selective adsorption of 1-octene using faujasite zeolites

Hui Seon Park

Dong‐Woo Cho

Kwangsoo Kim

et al.

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Cited by 3 publications

(2 citation statements)

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“…Zheng et al found a linear correlation between δ 31 P chemical shift of TMPO adsorbed and the proton affinity calculated by DFT 43 , and similar correlations were also found for adsorbed pyridine and acetone 46,47 .The performance of aluminosilicate in a particular reaction or industrial process is of utmost importance (Fig. 1C) [48][49][50][51][52][53][54][55][56][57][58][59][60] . A significant observation is that the concentration of Brønsted acidic sites (BAS) is positively correlated with reaction rates.…”

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confidence: 65%

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Investigation of Brønsted acidity in zeolites through adsorbates with diverse proton affinities

Trachta,

Bludský,

Vaculík

et al. 2023

Sci Rep

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Understanding the adsorption behavior of base probes in aluminosilicates and its relationship to the intrinsic acidity of Brønsted acid sites (BAS) is essential for the catalytic applications of these materials. In this study, we investigated the adsorption properties of base probe molecules with varying proton affinities (acetonitrile, acetone, formamide, and ammonia) within six different aluminosilicate frameworks (FAU, CHA, IFR, MOR, FER, and TON). An important objective was to propose a robust criterion for evaluating the intrinsic BAS acidity (i.e., state of BAS deprotonation). Based on the bond order conservation principle, the changes in the covalent bond between the aluminum and oxygen carrying the proton provide a good description of the BAS deprotonation state. The ammonia and formamide adsorption cause BAS deprotonation and cannot be used to assess intrinsic BAS acidity. The transition from ion-pair formation, specifically conjugated acid/base interaction, in formamide to strong hydrogen bonding in acetone occurs within a narrow range of base proton affinities (812–822 kJ mol−1). The adsorption of acetonitrile results in the formation of hydrogen-bonded complexes, which exhibit a deprotonation state that follows a similar trend to the deprotonation induced by acetone. This allows for a semi-quantitative comparison of the acidity strengths of BAS within and between the different aluminosilicate frameworks.

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confidence: 65%

“…The performance of aluminosilicate in a particular reaction or industrial process is of utmost importance (Fig. 1C) [48][49][50][51][52][53][54][55][56][57][58][59][60] . A significant observation is that the concentration of Brønsted acidic sites (BAS) is positively correlated with reaction rates.…”

mentioning

confidence: 99%

Investigation of Brønsted acidity in zeolites through adsorbates with diverse proton affinities

Trachta,

Bludský,

Vaculík

et al. 2023

Sci Rep

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show abstract

Competitive adsorption of benzene and ethyl acetate onto zeolites: a simulation study

Yu,

Xie,

Zhang

et al. 2024

J Mater Sci

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Adsorption properties of n-octane/1-octene binary mixtures in the zeolitic imidazolate frameworks, ZIF-8 and ZIF-67: Combined experimental and molecular simulation study

Jo,

Kim,

Jung

et al. 2024

Microporous and Mesoporous Materials

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Crucial role of alkali metal ions and Si/Al ratio in selective adsorption of 1-octene using faujasite zeolites

Cited by 3 publications

References 58 publications

Investigation of Brønsted acidity in zeolites through adsorbates with diverse proton affinities

Investigation of Brønsted acidity in zeolites through adsorbates with diverse proton affinities

Competitive adsorption of benzene and ethyl acetate onto zeolites: a simulation study

Adsorption properties of n-octane/1-octene binary mixtures in the zeolitic imidazolate frameworks, ZIF-8 and ZIF-67: Combined experimental and molecular simulation study

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