Liquid Hydrogen in Protonic Chabazite.

Abstract

Sorption G 6000Liquid Hydrogen in Protonic Chabazite. -Hydrogen adsorption in a series of zeolites is characterized by volumetric techniques and IR spectroscopy at 15 K. In H-SSZ-13 zeolite the cooperative role played by high surface area, internal wall topology, and presence of high binding energy sites (protons) allows hydrogen to become densified inside the nanopores at favorable temperature and pressure conditions. The H-SSZ-13 zeolite is a promising material for efficient hydrogen storage. -(ZECCHINA, A.; BORDIGA*, S.; VITILLO, J. G.; RICCHIARDI, G.; LAMBERTI, C.; SPOTO, G.; BJOERGEN, M.; LILLERUD, K. P.; J.

A review of the computational studies of proton- and metal-exchanged chabazites as media for molecular hydrogen storage performed with the CRYSTAL code

“…An average BE (4.5 kJ/mol) resulted for H 2 interacting with H-O1, H-O2 and H-O4 cases, whereas H-O3 showed a much lower BE value. These computed BE values are about half than the experimental estimate of 9.7 kJ/mol obtained by means of variable-temperature FTIR spectroscopy [10]. This may be due to dispersive contributions not accounted for by the B3LYP functional.…”

“…Table 3 also shows a sensible decrease of the H 2 Do 01 shifts upon improving the basis set for the B3LYP periodic cases. Comparison with the experimental shifts of the H-H stretching frequency of H 2 adsorbed on HCHA-11/1 [10] (see Table 1), shows that all the computed frequency shifts are underestimated.…”

“…Different materials have been the subject of analysis for the role of the host in the adsorption process. Carbon-based materials [6,7], metalorganic frameworks [8,9] and zeolites [10,11] are some of them, but the latter ones have shown to be interesting candidates due to their low cost and thermal and mechanical stability. The feasibility of this method of storage is basically ruled by the interaction between H 2 and the host material; therefore, the understanding of this interaction is crucial to infer the potential of different materials as storage media.…”

“…The feasibility of this method of storage is basically ruled by the interaction between H 2 and the host material; therefore, the understanding of this interaction is crucial to infer the potential of different materials as storage media. With this objective, several experimental studies on the H 2 interaction with diverse zeolites have been reported in the last years [10,[12][13][14][15][16][17][18][19][20][21][22][23][24][25], focused mainly on the estimation of adsorption enthalpies by means of variable-temperature infrared spectroscopy [26,27]. A summary of the data obtained in these experimental works is presented in Table 1, where it is worth noticing that beside the structural properties of the various studied zeolites (e.g.…”

Adsorption of hydrogen in nickel and rhodium exchanged zeolite X

“…A general chemical formula of zeolites is represented as Recent studies have shown that zeolites can be potential materials for reversible hydrogen storage [6][7][8][9][10][11][12][13][14][15]. Du and Wu reported hydrogen adsorption capacity of 2.55 wt% for NaX at 77 K and 70 bar pressure [7].…”