Cage‐to‐cage migration rates of Xe atoms in zeolite NaA from magnetization transfer experiments and simulations

Autor:	A. Keith Jameson, Rex E. Gerald, Cynthia J. Jameson
Rok vydání:	1994
Předmět:	Chemistry Analytical chemistry General Physics and Astronomy chemistry.chemical_element Trapping Reaction rate Magnetization Reaction rate constant Xenon Computational chemistry Atom Physics::Atomic and Molecular Clusters Magnetization transfer Physical and Theoretical Chemistry Zeolite
Zdroj:	The Journal of Chemical Physics. 101:1775-1786
ISSN:	1089-7690 0021-9606
DOI:	10.1063/1.467756
Popis:	Xenon trapped in the alpha cages of zeolite NaA exhibits distinct NMR signals for clusters Xe1, Xe2, Xe3,..., up to Xe8. Using multisite magnetization transfer experiments, we have measured the rate constants kmn for the elementary processes that are involved in the cage‐to‐cage transfer of Xe atoms in the zeolite NaA, that is, for a single Xe atom leaving a cage containing Xen to appear in a neighboring cage containing Xem−1, thereby forming Xem. In a random walk simulation, these rate constants reproduce over a hundred magnetization decay/recovery curves that we have measured in four samples of Xe in zeolite NaA at room temperature, in selective inversion, and complementary experiments for all the significantly populated clusters. The simulations also lead to the correct experimental equilibrium distributions, that is, the fractions of the alpha cages containing Xe1,Xe2,...,Xe8.
Databáze:	OpenAIRE
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