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Molecular simulation of water adsorption in silicalite: Effect of silanol groups and different cations
Journal article   Peer reviewed

Molecular simulation of water adsorption in silicalite: Effect of silanol groups and different cations

AO Yazaydin and RW Thompson
MICROPOROUS AND MESOPOROUS MATERIALS, Vol.123(1-3), pp.169-176
01/07/2009
DOI: https://doi.org/10.1016/j.micromeso.2009.03.045

Abstract

Science & Technology Physical Sciences Technology Chemistry Applied Chemistry Physical Nanoscience & Nanotechnology Materials Science Multidisciplinary Chemistry Science & Technology - Other Topics Materials Science CHEMISTRY APPLIED CHEMISTRY PHYSICAL MATERIALS SCIENCE MULTIDISCIPLINARY NANOSCIENCE & NANOTECHNOLOGY Silicalite Molecular simulation Silanol Cation Water Adsorption MONTE-CARLO SIMULATIONS DEALUMINATED ZEOLITE-Y PENTASIL-TYPE ZEOLITES DIFFERENT TEMPERATURES HYDROPHOBIC NANOPORES DYNAMICS SIMULATIONS SELF-DIFFUSION FAUJASITE METHANOL DEFECTS
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