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Literature DB >> 16375399

Water condensation in hydrophobic silicalite-1 zeolite: a molecular simulation study.

Nicolas Desbiens¹, Anne Boutin, Isabelle Demachy.

Abstract

We report grand canonical Monte Carlo simulations of the gas and liquid phase adsorption of water in silicalite-1 zeolite. Simple but effective models and simulation methods, found useful for studying gas adsorption in nanoporous materials, have been extended to describe the intrusion/extrusion cycle of water in this hydrophobic solid. The picture of water confined to hydrophobic spaces of nanoscopic dimensions that emerges from this study is one of a strongly depleted and highly inhomogeneous fluid.

Entities: Chemical

Year: 2005 PMID： 16375399 DOI： 10.1021/jp054168o

Source DB: PubMed Journal: J Phys Chem B ISSN： 1520-5207 Impact factor: 2.991

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Cited

6 in total

1. Influence of capillary bridge formation onto the silica nanoparticle interaction studied by grand canonical Monte Carlo simulations.

Authors: Sabine Leroch; Martin Wendland
Journal: Langmuir Date: 2013-09-25 Impact factor: 3.882

Water condensation in hydrophobic silicalite-1 zeolite: a molecular simulation study.

1. Influence of capillary bridge formation onto the silica nanoparticle interaction studied by grand canonical Monte Carlo simulations.

2. A zeolite-like aluminophosphate membrane with molecular-sieving property for water desalination.

3. Mechanistic correlation between water infiltration and framework hydrophilicity in MFI zeolites.

4. High-Pressure Insertion of Dense H₂ into a Model Zeolite.

5. Separation of H₂O/CO₂ Mixtures by MFI Membranes: Experiment and Monte Carlo Study.

6. Simulation of Forces between Humid Amorphous Silica Surfaces: A Comparison of Empirical Atomistic Force Fields.

Water condensation in hydrophobic silicalite-1 zeolite: a molecular simulation study.

1. Influence of capillary bridge formation onto the silica nanoparticle interaction studied by grand canonical Monte Carlo simulations.

2. A zeolite-like aluminophosphate membrane with molecular-sieving property for water desalination.

3. Mechanistic correlation between water infiltration and framework hydrophilicity in MFI zeolites.

4. High-Pressure Insertion of Dense H2 into a Model Zeolite.

5. Separation of H2O/CO2 Mixtures by MFI Membranes: Experiment and Monte Carlo Study.

6. Simulation of Forces between Humid Amorphous Silica Surfaces: A Comparison of Empirical Atomistic Force Fields.

4. High-Pressure Insertion of Dense H₂ into a Model Zeolite.

5. Separation of H₂O/CO₂ Mixtures by MFI Membranes: Experiment and Monte Carlo Study.