Molecular Dynamics Studies of Hydrated Zeolite 4A
- 31 August 1999
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 103 (37) , 7803-7808
- https://doi.org/10.1021/jp9907600
Abstract
No abstract availableKeywords
This publication has 19 references indexed in Scilit:
- Molecular Dynamics Studies of Sodium Diffusion in Hydrated Na+-Zeolite-4AThe Journal of Physical Chemistry B, 1998
- Molecular Dynamics Studies of Hydrated and Dehydrated Na+-Zeolite-4AThe Journal of Physical Chemistry B, 1997
- Atom pair potential for molecular dynamics simulations of structural and dynamical properties of aluminosilicates: test on silicalite and anhydrous Na-A and Ca-A zeolites and comparison with experimental dataJournal of the Chemical Society, Faraday Transactions, 1995
- Molecular Dynamics Simulation Studies of Zeolite-A. 3. Structure and Dynamics of Na+ Ions and Water Molecules in a Rigid Zeolite-AThe Journal of Physical Chemistry, 1994
- Physical properties of liquid water by molecular dynamics simulationsJournal of the Chemical Society, Faraday Transactions, 1994
- Fluctuations in zeolite aperture dimensions simulated by crystal dynamicsJournal of the American Chemical Society, 1992
- Molecular dynamics studies of hydrocarbon diffusion in zeolitesJournal of the Chemical Society, Faraday Transactions, 1991
- Nuclear magnetic resonance measurement of mass transfer in molecular sieve crystallitesJournal of the Chemical Society, Faraday Transactions, 1991
- Self-diffusion of water into a ferrierite-type zeolite by molecular dynamics simulationsJournal of the Chemical Society, Faraday Transactions, 1991
- Force fields for silicas and aluminophosphates based onab initiocalculationsPhysical Review Letters, 1990