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.

Authors

  • Diallo Souleymane

    Oak Ridge National Lab, Oak Ridge National Laboratory

  • Lukas Vlcek

    Oak Ridge National Laboratory

  • 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

  • Jong Keum

    Oak Ridge National Laboratory

  • Jihua Chen

    Oak Ridge National Laboratory

  • Joseph Hayes

    American Technical Trading

  • David Wesolowski

    Oak Ridge National Laboratory

  • Ariel Chialvo

    Oak Ridge National Laboratory