Electronic Resource
s.l. ; Stafa-Zurich, Switzerland
Solid state phenomena
Vol. 124-126 (June 2007), p. 1657-1660
ISSN:
1662-9779
Source:
Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
Topics:
Physics
Notes:
A theoretical method to study the encapsulation of H2 molecules in the cavities ofCs3Na9-A zeolite has been proposed. To study the properties of encapsulated H2 molecules, aFermi-Dirac like statistics has been introduced. The average binding energy per H2 is obtained as afunction of the number of molecules and temperature. The average activation energy is also calculatedfrom the minimum energy path for the α- to α-cage transmission and the average binding energy. Thefraction with higher energy than its activation energy has been calculated and revealed that theactivation energy for the en- and decapsulation of H2 molecules depends not only on the temperaturebut also on the number of the encapsulated molecules
Type of Medium:
Electronic Resource
URL:
http://www.tib-hannover.de/fulltexts/2011/0528/02/24/transtech_doi~10.4028%252Fwww.scientific.net%252FSSP.124-126.1657.pdf
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