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VOLUME 80, NUMBER 26 P H Y S I C A L R E V I E W L E T T E R S 29 JUNE 1998 Ising Model of Diffusion in Molecular Sieves
 

Summary: VOLUME 80, NUMBER 26 P H Y S I C A L R E V I E W L E T T E R S 29 JUNE 1998
Ising Model of Diffusion in Molecular Sieves
Chandra Saravanan,1
Fabien Jousse,1
and Scott M. Auerbach1,2,
*
1
Department of Chemistry, University of Massachusetts, Amherst, Massachusetts 01003
2
Department of Chemical Engineering, University of Massachusetts, Amherst, Massachusetts 01003
(Received 23 January 1998)
We have developed a new analytical theory for activated diffusion in zeolites at finite loadings,
including the effect of adsorbate-adsorbate interactions. Excellent qualitative agreement is obtained
comparing our new theory to kinetic Monte Carlo simulations. We have applied this theory to benzene
diffusion in faujasite, to help resolve discrepancies among different experiments. Our results are in
qualitative agreement with pulsed field gradient NMR, and in qualitative disagreement with tracer zero-
length column data. [S0031-9007(98)06457-6]
PACS numbers: 66.30.h, 05.50.+q, 47.55.Mh, 81.05.Rm
The transport properties of adsorbed molecules play a
central role in separations and reactions that take place

  

Source: Auerbach, Scott M. - Department of Chemistry, University of Massachusetts at Amherst

 

Collections: Chemistry