Location and Conformation of n-Alkanes in Zeolites: An Analysis of Configurational-Bias Monte Carlo Calculations
- 1 January 1996
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry
- Vol. 100 (44) , 17573-17581
- https://doi.org/10.1021/jp961386w
Abstract
No abstract availableKeywords
This publication has 12 references indexed in Scilit:
- Energetics ofn-Alkanes in Zeolites: A Configurational-Bias Monte Carlo Investigation into Pore Size DependenceJournal of the American Chemical Society, 1996
- 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
- Powder Neutron Diffraction and 29Si MAS NMR Studies of Siliceous Zeolite-YJournal of Solid State Chemistry, 1993
- Molecular dynamics simulation of propane and methane in silicaliteThe Journal of Physical Chemistry, 1993
- Molecular dynamics simulations of sustained oscillations in a thermochemical systemThe Journal of Physical Chemistry, 1992
- Simulation studies of the structure and energetics of sorbed molecules in high-silica zeolites. 1. HydrocarbonsThe Journal of Physical Chemistry, 1991
- Sorption properties of zeolite rhoJournal of Catalysis, 1991
- Low-frequency Raman spectrum and asymmetric potential function for internal rotation of gaseous n-butaneThe Journal of Physical Chemistry, 1980
- The crystal structure of the zeolite ferrieriteActa Crystallographica, 1966