Hydrogen adsorption on M-ZSM-12 zeolite clusters (M = K, Na and Li): a density functional theory study
Source abstract
Abstract
The molecular adsorption of hydrogen has been studied theoretically via DFT on additional framework with alkali metal atoms (K, Na and Li) in ZSM-12 zeolite. A 14T channel zeolite cluster model was used. Lewis acidity of alkali metals decreases with increasing atomic radius of alkali metal and H2 adsorption. Adsorption enthalpy values were computed to be −7.4 and −5.1 kJ/mol on Li- and Na-ZSM-12 clusters, respectively. Hydrogen adsorption enthalpy values for Li- and Na-cases are meaningfully larger than the liquefaction enthalpy of hydrogen molecule. This designates that Li- and Na-ZSM-12 zeolites are potential cryoadsorbent materials for hydrogen storage.
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Research context
OpenAlex topics: Zeolite Catalysis and Synthesis · Catalytic Processes in Materials Science · Ammonia Synthesis and Nitrogen Reduction
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (38)
Show source-provided references
1. A.A. Strub, G. Imarisio, Hydrogen as an Energy Vector (D. Reidel, Dordrecht, 1980)10.1007/978-94-009-9042-5 ↗
2. http://www1.eere.energy.gov/hydrogenandfuelcells/storage/ . Accessed 29 May 2014
3. G. Yang, L. Zhou, X. Liu, X. Han, X. Bao, J. Phys. Chem. B Lett. 110, 22295 (2006)10.1021/jp065166m ↗
4. G. Yang, L. Zhou, X. Liu, X. Han, X. Bao, Microporous Mesoporous Mater. 161, 168 (2012)10.1016/j.micromeso.2012.05.033 ↗
5. A.A. Shubin, G.M. Zhidomirov, V.B. Kazansky, R.A. Van Santen, Catal. Lett. 90, 137 (2003)10.1023/B:CATL.0000004107.24576.1c ↗
6. F. Darkrim, A. Aoufi, P. Malbrunot, D. Levesque, J. Chem. Phys. 112, 5991 (2000)10.1063/1.481201 ↗
7. C.O. Areán, O.V. Manoilova, B. Bonelli, M.R. Delgado, G.T. Palomino, E. Garrone, Chem. Phys. Lett. 370, 631 (2003)10.1016/S0009-2614(03)00172-6 ↗
8. C.O. Arean, M.R. Delgado, G.T. Palomino, M.T. Rubio, N.M. Tsyganenko, A.A. Tsyganenko, E. Garrone, Microporous Mesoporous Mater. 80, 247 (2005)10.1016/j.micromeso.2004.12.004 ↗
9. X. Du, Y. Huang, Q. Zhang, J. Li, E. Wu, S. Xuebao, S. Jiagong, Acta Pet. Sinica (Pet. Process. Sect.) 28, 137 (2012)
10. M.K. Song, K.T. No, Catal. Today 120, 374 (2007)10.1016/j.cattod.2006.09.011 ↗
11. J.M. Liang, R.G. Zhang, Q. Zhao, J.X. Dong, B.J. Wang, J.P. Li, Acta Phys. Chim. Sin. 27, 1647 (2011)10.3866/PKU.WHXB20110714 ↗
12. C.O. Areán, G.T. Palomino, M.R.L. Carayol, A. Pulido, M. Rubeš, O. Bludský, P. Nachtigall, Chem. Phys. Lett. 477, 139 (2009)10.1016/j.cplett.2009.06.058 ↗
13. X.M. Du, Y. Huang, E.D. Wu, Appl. Mech. Mater. 55–57, 1518 (2011)
14. F.S. Victoire, A.M. Goulay, E. Cohen de Lara, Langmuir 14, 7255 (1998)10.1021/la980521o ↗
15. L. Kang, W. Deng, K. Han, T. Zhang, Z. Liu, Int. J. Hydrogen Energy 33, 105 (2008)10.1016/j.ijhydene.2007.08.027 ↗
16. G.P. Petrova, G.N. Vayssilov, N. Rösch, J. Phys. Chem. C 111, 14484 (2007)10.1021/jp074001q ↗
17. P. Nachtigall, E. Garrone, G.T. Palomino, M.R. Delgado, D. Nachtigallová, C.O. Areán, Phys. Chem. Chem. Phys. 8, 2286 (2006)10.1039/B602362B ↗
18. C.O. Areán, G.T. Palomino, E. Garrone, D. Nachtigallová, P. Nachtigall, J. Phys. Chem. B 110, 395 (2006)10.1021/jp055190k ↗
19. F.J. Torres, B. Civalleri, A. Terentyev, P. Ugliengo, C. Pisani, J. Phys. Chem. B Lett. 111, 1871 (2007)10.1021/jp067631l ↗
20. F.J. Torres, J.G. Vitillo, B. Civalleri, G. Ricchiardi, A. Zecchina, J. Phys. Chem. C 111, 2505 (2007)10.1021/jp0673765 ↗
21. W. Kohn, L.J. Sham, Phys. Rev. 140, A1133 (1965)10.1103/PhysRev.140.A1133 ↗
22. M.F. Frisch et al., Gaussian 09 (Gaussian Inc., Wallingford, 2009)
23. A.D. Becke, Phys. Rev. A 38, 3098 (1988)10.1103/PhysRevA.38.3098 ↗
24. C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37, 785 (1988)10.1103/PhysRevB.37.785 ↗
25. J. Baker, M. Muir, J. Andzelm, A. Scheiner, ACS Symp. Ser. 629, 342 (1996)10.1021/bk-1996-0629.ch024 ↗
26. N.A. Kachurovskaya, G.M. Zhidomirov, E.J.M. Hensen, R.A. Santen, Catal. Lett. 86, 25 (2003)10.1023/A:1022642521434 ↗
27. N.A. Kachurovskaya, G.M. Zhidomirov, R.A. Santen, J. Phys. Chem. B 108, 5944 (2004)10.1021/jp030264i ↗
28. M.F. Fellah, J. Phys. Chem. C 115, 1940 (2011)10.1021/jp107534n ↗
29. X. Rozanska, X. Saintigny, R.A. Santen, F. Hutschka, J. Catal. 202, 141 (2001)10.1006/jcat.2001.3266 ↗
30. X. Rozanska, R.A. Santen, F. Hutschka, J. Hafner, J. Am. Chem. Soc. 123, 7655 (2001)10.1021/ja0103795 ↗
31. A.M. Vos, X. Rozanska, R.A. Schoonheydt, R.A. Santen, F. Hutschka, J. Hafner, J. Am. Chem. Soc. 123, 2799 (2001)10.1021/ja001981i ↗
32. R.B. LaPierre, A.C. Rohrman Jr, J.L. Schlenker, J.D. Wood, M.K. Rubin, W.J. Rohrbaugh, Zeolites 5, 346 (1985)10.1016/0144-2449(85)90121-6 ↗
33. S. Kulprathipanja, Zeolites in Industrial Separation and Catalysis (Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, 2010)10.1002/9783527629565 ↗
34. M.J. Rice, A.K. Chakraborty, A.T. Bell, J. Catal. 194, 278 (2000)10.1006/jcat.2000.2977 ↗
35. M.W. Wong, Chem. Phys. Lett. 256, 391 (1996)10.1016/0009-2614(96)00483-6 ↗
36. R.S. Mulliken, J. Chem. Phys. 23, 1833 (1955)10.1063/1.1740588 ↗
37. I. Tezsevin, M.F. Fellah, I. Onal, Microporous Mesoporous Mater. 180, 102 (2013)10.1016/j.micromeso.2013.06.021 ↗
38. R.H. Perry, D.W. Green, Perry’s Chemical Engineers Handbook, 7th edn. (McGraw-Hill International Editors, Sydney, 1997), Section 2