Developments in Silica-Based Nanoporous Materials
نویسندگان
چکیده
منابع مشابه
Water confinement in nanoporous silica materials.
The influence of the surface polarity of cylindrical silica nanopores and the presence of Na(+) ions as compensating charges on the structure and dynamics of confined water has been investigated by molecular dynamics simulations. A comparison between three different matrixes has been included: a protonated nanopore (PP, with SiOH groups), a deprotonated material (DP, with negatively charged sur...
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We review our incoherent quasielastic neutron scattering (QENS) studies of the dynamics of supercooled water confined in nanoporous silica materials. QENS data were analysed by using the relaxing cage model (RCM) previously developed by us. We first use molecular dynamics (MD) simulation of the extended simple point charge model (SPC/E) for bulk supercooled water to establish the validity of th...
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The current review article attempts to cover the field of nanoporous materials, thereby materials with voids of the order of 1 nm to 100 nm or even larger. Concepts, that have an effect on a more general basis, are introduced and the common features among the different classes of nanoporous materials are demonstrated enabling understanding their formation and stability. It is seen that the most...
متن کاملRecent developments in the molecular modeling of diffusion in nanoporous materials
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متن کاملUnderstanding diffusion in nanoporous materials.
Can we predict diffusion behavior of molecules in confinement by looking at the match between the molecule and the structure of the confinement? This question has proven difficult to answer for many decades. As a case study, we use methane and a simple model of ellipsoids to arrive at a molecular picture that allows us to make a classification of pore topologies and to explain their diffusion b...
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ژورنال
عنوان ژورنال: Bulletin of Japan Society of Coordination Chemistry
سال: 2014
ISSN: 1882-6954,1883-1737
DOI: 10.4019/bjscc.64.2