A thermodynamic investigation of selenium confined in silicalite zeolite

[en] In this paper, we study the practical feasibility of selenium adsorption in silicalite-1 zeolite by performing Grand Canonical Monte Carlo (GCMC) simulations on a simulation box including the porous matrix and its outer surface. This work aims at gaining insight on the stability of semi-conductor wires in microporous materials. The simulations at two different temperatures show two distinct behaviors: adsorption occurs inside the pores at 200degreesC while solely on the external surface at 650degreesC. This indicates that adsorption inside the pore network can only proceed below the pseudo-wetting transition temperature that lies between 200 and 650degreesC. The existence of such transition temperature is thus crucial if one aims to produce nanowires from microporous materials by adsorption from a gas phase.

Disciplines :

Physics
Chemistry

Author, co-author :

Bichara, C.

Raty, Jean-Yves ; Université de Liège - ULiège > Département de physique > Physique de la matière condensée

Pellenq, R.

Language :

English

Title :

A thermodynamic investigation of selenium confined in silicalite zeolite

Publication date :

10 August 2004

Journal title :

Molecular Simulation

ISSN :

0892-7022

eISSN :

1029-0435

Publisher :

Taylor & Francis Ltd, Abingdon, United Kingdom

Volume :

Issue :

Pages :

601-606

Peer reviewed :

Peer Reviewed verified by ORBi

Additional URL :

http://www.tandfonline.com/doi/abs/10.1080/08927020410001717218#

Available on ORBi :

since 25 January 2012

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Bibliography

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