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Molecular Modeling of Glucose Diffusivity in Silica Nanochannels

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The diffusivity of glucose was studied in confined environment of a 10 nm silica nanochannel to evaluate the influence of the interface on glucose transport at a nano-scale range. Molecular dynamics studies revealed that glucose forms a weakly adsorbed layer at the silica interface. The calculated diffusion coefficients were overestimated by up to 30% compared to the experimental ones, though they follow the same dependence on concentration. Close to the interface, radial diffusivity was observed to be lower than lateral, while diffusivities were affected by the interface up to 3 nm from it. This slowdown of glucose diffusivity is found to be related to the decrease in the probability of longer random walk jumps. It is also observed that the dynamics on the interface is characterized by adsorption–desorption processes. These results clearly suggest that glucose transport is affected by the interface in 10 nm nano-confinement.
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Keywords: ADSORPTION; GLUCOSE DIFFUSION; NANOCHANNEL; SILICA INTERFACE

Document Type: Research Article

Publication date: 2009-11-01

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  • Journal for Nanoscience and Nanotechnology (JNN) is an international and multidisciplinary peer-reviewed journal with a wide-ranging coverage, consolidating research activities in all areas of nanoscience and nanotechnology into a single and unique reference source. JNN is the first cross-disciplinary journal to publish original full research articles, rapid communications of important new scientific and technological findings, timely state-of-the-art reviews with author's photo and short biography, and current research news encompassing the fundamental and applied research in all disciplines of science, engineering and medicine.
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