Aqueous electrolytes confined within functionalized silica nanopores

Molecular dynamics simulations have been carried out to investigate structural and dynamical characteristics of NaCl aqueous solutions confined within silica nanopores in contact with a bulk-like reservoir. Two types of pores, with diameters intermediate between 20 and 37.5 , were investigated: The...

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Detalles Bibliográficos
Autores principales: Videla, P.E., Sala, J., Mart, J., Gurdia, E., Laria, D.
Formato: JOUR
Materias:
Aqueous electrolyte
Behavior of solutions
Bulk value
Bulk-like
Diffusion Coefficients
Dynamical characteristics
Electrical conductivity
Functionalized silica
Geometrical considerations
Hydrophilic pores
Hydrophobic cavities
Lennard-Jones type
Molecular dynamics simulations
NaCl aqueous solution
Pore wall
Qualitative differences
Selective adsorption
Silanols
Adsorption
Electric conductivity
Electrolytes
Hydrophilicity
Hydrophobicity
Molecular dynamics
Silica
Sodium chloride
Walls (structural partitions)
Nanopores
electrolyte
silicon dioxide
sodium chloride
water
article
chemical phenomena
chemistry
molecular dynamics
nanopore
Hydrophobic and Hydrophilic Interactions
Molecular Dynamics Simulation
Silicon Dioxide
Sodium Chloride
Water
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00219606_v135_n10_p_Videla
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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