Water Confined in Mesoporous TiO2 Aerosols: Insights from NMR Experiments and Molecular Dynamics Simulations

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The adsorption of water vapor in mesoporous TiO2 was studied by nuclear magnetic resonance (NMR) and multiscale molecular dynamics simulations. Three different water environments were distinguished and quantified: a first layer, where strongly bound water molecules exist at the inner surfaces; a sec...

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Detalles Bibliográficos
Autores principales: Velasco, M.I., Franzoni, M.B., Franceschini, E.A., Gonzalez Solveyra, E., Scherlis, D., Acosta, R.H., Soler-Illia, G.J.A.A.
Formato: JOUR
Materias:
Molecular dynamics
Molecules
Nuclear magnetic resonance
Nuclear magnetic resonance spectroscopy
Pore size
Porous materials
Titanium dioxide
Adsorption of water vapors
Bound water molecules
Hydrophilic materials
Molecular dynamics simulations
Nano-porous materials
Nuclear magnetic resonance(NMR)
Restricted mobilities
Synergistic combinations
Driers (materials)
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_19327447_v121_n13_p7533_Velasco
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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