Adsorption of hydrocarbons in zeolites from molecular simulations. The alkane–ferrierite system revisited
Physical Chemistry Chemical Physics2004Vol. 6(9), pp. 2015–2017
Citations Over TimeTop 16% of 2004 papers
Abstract
The adsorption of linear alkanes in zeolite ferrierite is reinvestigated using a recently developed forcefield based on the anisotropic united atom (AUA) potential scheme with no futher readjustment. The simulation model is able to reproduce the subtle changes in adsorption site occupancies of n-alkanes (n = 3–7) in ferrierite in good agreement with experimental data.
Related Papers
- → Organotemplate-free synthesis of high-silica ferrierite zeolite induced by CDO-structure zeolite building units(2011)79 cited
- → The distribution analysis on the proton siting and the acid strength of the zeolite ferrierite: A computational study(2016)13 cited
- → Synthesis and Characterisation of Ferrisilicate Zeolites(1991)7 cited
- Progress in synthesis of zeolite and zeolite-like molecular sieves(2001)
- Study of Preparation Conditions for 4A Zeolite Molecular Sieve from Natural Zeolite(2014)