Molecular Dynamics Simulations of Alkanes in the Zeolite Silicalite: Evidence for Resonant Diffusion Effects
- 1 August 1997
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 101 (33) , 6394-6408
- https://doi.org/10.1021/jp970774a
Abstract
No abstract availableKeywords
This publication has 32 references indexed in Scilit:
- Conformation of confined alkanes: n-butane in zeolite YThe Journal of Chemical Physics, 1996
- Synthesis and Applications of Molecular Sieve Layers and MembranesChemistry of Materials, 1996
- Dynamics of Long n-Alkanes in Silicalite: A Hierarchical Simulation ApproachThe Journal of Physical Chemistry, 1996
- Location and Conformation of n-Alkanes in Zeolites: An Analysis of Configurational-Bias Monte Carlo CalculationsThe Journal of Physical Chemistry, 1996
- Mobility of Aromatic Molecules in Zeolite NaY by Molecular Dynamics SimulationThe Journal of Physical Chemistry, 1996
- Computer Simulation of the Structure, Energetics, and Diffusion Properties of p-Xylene in Zeolite Na-YThe Journal of Physical Chemistry, 1995
- Sorption Thermodynamics, Siting, and Conformation of Long n-Alkanes in Silicalite As Predicted by Configurational-Bias Monte Carlo IntegrationThe Journal of Physical Chemistry, 1995
- Computer Simulations of the Energetics and Siting of n-Alkanes in ZeolitesThe Journal of Physical Chemistry, 1994
- Localization and mobility of benzene in sodium-Y zeolite by molecular dynamics calculationsThe Journal of Physical Chemistry, 1989
- Permeation through a single crystal of Zeolite NaXJournal of Membrane Science, 1985