Diffusive Dynamics of Water inside Hydrophobic Carbon Micropores Studied by Neutron Spectroscopy and MD Simulation
ORAL
Abstract
Using neutron scattering, we have investigated the ambient pressure diffusive dynamics of water in microporous Kynol$^{TM}$ ACF-10 (with average micropore size of $\sim$11.6 {\AA}) from temperature $T=$ 280 K in its stable liquid state down to $T=$ 230 K into the metastable supercooled phase. The observed characteristic relaxation times and diffusion coefficients are found to be respectively higher and lower than those in bulk water, indicating a slowing down of the water mobility with decreasing temperature. Comparison between the experimental observations and complementary molecular dynamics simulations of a model system, in which we studied the diffusion of water within the 12 {\AA} gap of two parallel graphene sheets will be presented.
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Authors
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Diallo Souleymane
Oak Ridge National Lab, Oak Ridge National Laboratory
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Lukas Vlcek
Oak Ridge National Laboratory
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Eugene Mamontov
Oak Ridge National Lab, Chemical and Engineering Materials Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA, Oak Ridge National Laboratory, TN, Oak Ridge National Laboratory
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Jong Keum
Oak Ridge National Laboratory
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Jihua Chen
Oak Ridge National Laboratory
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Joseph Hayes
American Technical Trading
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David Wesolowski
Oak Ridge National Laboratory
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Ariel Chialvo
Oak Ridge National Laboratory