Simulation of adsorbostriction in microporous adsorbents
Tver State Technical University
Abstract: In this work, models of elastic adsorption deformation of microporous adsorbents with different micropore geometries are proposed, which make it possible to relate changes in the relative linear dimensions of macroobjects (adsorbents) and micropores. Model No. 1 is a model of elastic adsorption deformation of microporous adsorbents upon interaction with gases. Model No. 2 corresponds to the model when the micropores are plane-parallel slots of limited size. Obviously, the proposed equations can be used in constructing the general thermodynamics of adsorption processes and adsorption theory, as well as in calculating the thermodynamic functions of adsorbents. In particular, changes in the internal energy, enthalpy, and entropy of the adsorbent during its deformation can be calculated. Thus, it will be possible to reveal the contribution of the non-inert adsorbent to the measured heats of adsorption. The developed approach contributes to the development of the thermodynamics of adsorption processes and the construction of a general theory of adsorption, taking into account the contribution of the adsorbent.
Keywords: adsorption, absorption, adsorbostriction, deformation of adsorbents, microporous adsorbents, dilatometric studies, adsorption thermodynamics
- Andrey V. Tvardovskiy – Dr. Sc., Professor, Rector, Tver State Technical University
Tvardovskiy, A.V. Simulation of adsorbostriction in microporous adsorbents / A.V. Tvardovskiy // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials. — 2023. — I. 15. — P. 282-287. DOI: 10.26456/pcascnn/2023.15.282. (In Russian).
Full article (in Russian): download PDF file
1. Tvardovskiy A.V., Fomkin A.A. Deformation of porous adsorbents at adsorption, Chemical Engineering Transactions, 2021, vol. 86, pp. 1285-1290. DOI: 10.3303/CET2186215.
2. Zaytsev D.S., Tvardovskiy A.V., Shkolin A.V., Fomkin A.A. Adsorbtsionnaya deformatsiya mikroporistogo uglerodnogo adsorbenta FAS pri prokhozhdenii cherez nego parov vody i atsetona [Adsorption deformation of microporous carbon adsorbent FAS at adsorption of water and acetone vapors], Izvestiya vysshikh uchebnykh zavedenii, seriya khimiya i khimicheskaya tekhnologiya [The Journal ChemChemTech], 2019, vol. 62, no. 2, pp. 43-47. DOI: 10.6060/ivkkt.20196202.5807.
3. Shkolin A.V., Fomkin A.A., Men’shchikov I.E., Pulin A.L., Yakovlev V.Y. Deformation of AUK adsorbent and adsorbate structure upon n-octane adsorption, Colloid Journal, 2019, vol. 81, issue 5, pp. 613-620. DOI: 10.1134/S1061933X19050119.
4. Shkolin A.V., Fomkin A.A., Men’shchikov I.E., Pulin A.L., Yakovlev V.Y. Adsorption-induced and thermal deformation of microporous carbon adsorbent upon n-octane adsorption, Colloid Journal, 2019, vol. 81, issue 6, pp. 797-803. DOI: DOI: 10.1134/S1061933X190601880181.
5. Tvardovskiy A.V., Fomkin A.A. Sorptive deformation of porous sorbents, Chemical Engineering Transactions, 2019, vol. 73, pp. 211-216. DOI: 10.3303/CET1973036.
6. Fomkin A.A., Shkolin A.V., Pulin A.L. et al. Adsorption-induced deformation of adsorbents, Colloid Journal, 2018, vol. 80, issue 5, pp. 578-586. DOI: DOI: 10.1134/S1061933X18050083.
7. Henry D.C. LX. A kinetic theory of adsorption, The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science. Series 6, 1922, vol. 44, issue 262, pp. 689-705. DOI: 10.1080/14786441108634035.
8. Langmuir I. The adsorption of gases on plane surfaces of glass, mica and platinum, Journal of the American Chemical Society, 1918, vol. 40, issue 9, pp. 1361-1403. DOI: 10.1021/ja02242a004.
9. Brunauer S., Emmett P.H., Teller E. Adsorption of gases in multimolecular layers, Journal of the American Chemical Society, 1938, vol. 60, issue 2, pp. 309-319. DOI: 10.1021/ja01269a023.
10. Fomkin A.A., Regent N.I., Sinitsyn V.A. Adsorption deformation in the microporous carbon adsorbentbenzene system and porous structure of adsorbents, Russian Chemical Bulletin, 2000, vol. 49, issue 6, pp. 1012-1016. DOI: 10.1007/BF02494885.
11. Fomkin A.A., Pulin A.L. Description of NaX zeolite deformation during adsorption of xenon, Russian Chemical Bulletin, 1999, vol. 48, issue 10, pp. 1864-1866. DOI: 10.1007/BF02494738.
12. Vrentas J.S. Volumetric behavior of glassy polymer-penetrant systems, Macromolecules, 1989, vol. 22, issue 5, pp. 2264-2266. DOI: 10.1021/ma00195a046.
13. Wissinger R.G., Paulaitis M.E. Molecular thermodynamic model for sorption and swelling in glassy polymer-CO2 systems at elevated pressures, Industrial and Engineering Chemistry Research, 1991, vol. 30, issue 5, pp. 842-851. DOI: 10.1021/ie00053a006.
14. Karnaukhov A.P. Adsorbtsiya. Tekstura dispersnykh i poristykh materialov [Adsorption. Texture of dispersed and porous materials]. Novosibirsk: Nauka Publ., 1999. – 470 p. (In Russian).
15. Tvardovskiy, A.V. Obshchij fenomenologicheskij podkhod dlya opisaniya adsorbtsionnykh i absorbtsionnykh ravnovesij [General phenomenological approach for the description of adsorption and absorption equilibria], Fiziko-khimicheskie aspekty izucheniya klasterov, nanostruktur i nanomaterialov [Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials], 2022, issue 14, pp. 321-330. DOI: 10.26456/pcascnn/2022.14.321. (In Russian).