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Configurational density of states in zeolite frameworks: a Monte Carlo approach

✍ Scribed by Carlos P. Herrero; Rafael Ramirez

Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
392 KB
Volume
194
Category
Article
ISSN
0009-2614

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✦ Synopsis

The density of states g( E) associated to the configurational energy of the Si, Al atom distribution on the aluminosilicate framework of faujasite is calculated by a Monte Carlo method. An analysis of g(E) allows to characterize the atom ordering as a function of temperature. The free energy of the system at any temperature is obtained straightforwardly from the density of states. This method can thus be applied to problems of substitutional disorder controlled by long-range interactions.

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