Most applications of zeolites involve adsorption. Adsorption of guest species is known to affect the host framework, which is particularly manifested as adsorbent deformation [1]. Zeolites are no exception: for example, adsorption of CO₂ in zeolites 13X and 4A induces small but measurable strains on the order of 0.1% [2]. Interestingly, while the CO₂ adsorption isotherms of 13X and 4A are quite similar, their deformations differ markedly -- 4A expands, whereas 13X first contracts and then expands. To elucidate the microscopic origin of this behavior, we performed coupled molecular dynamics and Monte Carlo simulations, which allowed us to capture both gas adsorption and the resulting framework deformation [2].

These studies raised another question: does adsorption also alter the mechanical properties of zeolites, such as their elastic moduli? We addressed this question using molecular simulations [3], which showed that CO₂ adsorption in zeolites 13X and 4A leads to a nearly twofold increase in their elastic moduli. Our group is currently developing an experimental method for measuring the elastic moduli of porous materials during adsorption. I will share details of our sorption–ultrasonic method [4] and present preliminary results for zeolites.

[1] Gor, G.Y., Huber, P. and Bernstein, N., 2017. Appl. Phys. Rev., 4(1), 011303.
[2] Emelianova, A., Balzer, C., Reichenauer, G. and Gor, G.Y., 2023. Langmuir, 39(32), 11388-11397.
[3] Flores Roman, S.A., Emelianova, A., Gor, G.Y., 2025. J. Phys. Chem. C, 129(3), 1841-1849.
[4] Ogbebor, J., Valenza, J.J., Ravikovitch, P.I., Karunarathne, A., Muraro, G., Lebedev, M., Gurevich, B., Khalizov, A.F. and Gor, G.Y., 2023. Phys. Rev. E, 108(2), 024802.