What question did this study set out to answer?

To assess the validity of Ideal Adsorbed Solution Theory tenets in zeolites and analyze the thermodynamic mechanisms driving mixture adsorption reversals and azeotrope formation.

July 30, 2026Microporous and Mesoporous MaterialsOpen Access

Adsorption and selectivity reversals in zeolites

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Authors

RKRajamani Krishna JBJasper M. van Baten

Discussion

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Overview

Theoretical analysis reveals adsorption azeotropy and selectivity reversals in microporous zeolites, highlighting non-ideal guest interactions and site segregation.

Key Points

To assess the validity of Ideal Adsorbed Solution Theory tenets in zeolites and analyze the thermodynamic mechanisms driving mixture adsorption reversals and azeotrope formation.
Evaluated mixture adsorption behaviors across water/ethanol, carbon dioxide/alkane, and carbon dioxide/alkene systems in CHA, DDR, NaX, LTA, and MOR zeolites.
Identified departures from homogeneous distribution caused by hydrogen-bonded molecular clustering, cation interactions, and steric site exclusion.
Formulated modifications for activity coefficient models (NRTL, Wilson, Margules) incorporating pore occupancy and extended the Herrington thermodynamic consistency test.
Demonstrated that molecular clustering in water/ethanol mixtures and preferential cation coordination of carbon dioxide break core assumptions of ideal solution behavior.
Identified that steric exclusion prevents propane from entering MOR zeolite side pockets, leaving them exclusively occupied by carbon dioxide.
Observed that non-idealities produce adsorption azeotropes with an adsorption selectivity of unity, alongside sharp selectivity shifts toward water in ethanol-rich mixtures suitable for pervaporation.

Cite This Study

Krishna et al. (2026) studied this question.

synapsesocial.com/papers/6a9cba9b9beff30feb5d400e https://doi.org/10.1016/j.micromeso.2026.114338

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July 30, 2026Microporous and Mesoporous MaterialsOpen Access

Adsorption and selectivity reversals in zeolites

View Full Paper

Ask AI

Bookmark

Authors

RKRajamani Krishna JBJasper M. van Baten

Discussion

Member takes

Overview

Theoretical analysis reveals adsorption azeotropy and selectivity reversals in microporous zeolites, highlighting non-ideal guest interactions and site segregation.

Key Points

To assess the validity of Ideal Adsorbed Solution Theory tenets in zeolites and analyze the thermodynamic mechanisms driving mixture adsorption reversals and azeotrope formation.
Evaluated mixture adsorption behaviors across water/ethanol, carbon dioxide/alkane, and carbon dioxide/alkene systems in CHA, DDR, NaX, LTA, and MOR zeolites.
Identified departures from homogeneous distribution caused by hydrogen-bonded molecular clustering, cation interactions, and steric site exclusion.
Formulated modifications for activity coefficient models (NRTL, Wilson, Margules) incorporating pore occupancy and extended the Herrington thermodynamic consistency test.
Demonstrated that molecular clustering in water/ethanol mixtures and preferential cation coordination of carbon dioxide break core assumptions of ideal solution behavior.
Identified that steric exclusion prevents propane from entering MOR zeolite side pockets, leaving them exclusively occupied by carbon dioxide.
Observed that non-idealities produce adsorption azeotropes with an adsorption selectivity of unity, alongside sharp selectivity shifts toward water in ethanol-rich mixtures suitable for pervaporation.

Cite This Study

Krishna et al. (2026) studied this question.

synapsesocial.com/papers/6a9cba9b9beff30feb5d400e https://doi.org/10.1016/j.micromeso.2026.114338

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