ABSTRACT
It is well known that water inside hydrophobic nano-channels diffuses faster than bulk water. Recent theoretical studies have shown that this enhancement depends on the size of the hydrophobic nanochannels. However, experimental evidence of this dependence is lacking. Here, by combining two-dimensional nuclear magnetic resonance diffusion-relaxation ( D - T 2 e f f ) spectroscopy in the stray field of a superconducting magnet and molecular dynamics simulations, we analyze the size dependence of water dynamics inside Carbon Nanotubes (CNTs) of different diameters ( 1.1 - 6.0 nm), in the temperature range of 265 - 305 K. Depending on the CNT diameter, the nanotube water is shown to resolve in two or more tubular components acquiring different self-diffusion coefficients. Most notably, a favorable CNT diameter range ( 3.0 - 4.5 nm) is experimentally verified for the first time, in which water molecule dynamics at the center of the CNTs exhibits distinctly non-Arrhenius behavior, characterized by ultrafast diffusion and extraordinary fragility, a result of significant importance in the efforts to understand water behavior in hydrophobic nanochannels.
ABSTRACT
We report the first direct measurement of the proton 3-D Born-Oppenheimer potential in any material. The proton potential surfaces in the hydrogen-bonded superprotonic conductor Rb(3)H(SO(4))(2) are extracted from the momentum distribution measured using Deep Inelastic Neutron Scattering (DINS). The potential has a single minimum along the bond direction, which accounts for the absence of the antiferroelectric transition seen in the deuterated material. The measured potential is in qualitative agreement with phenomenological double Morse potentials that have been used to describe hydrogen bonds in other systems.
ABSTRACT
The momentum distribution of the protons in ice Ih, ice VI, high density amorphous ice, and water in carbon nanotubes has been measured using deep inelastic neutron scattering. We find that at 5 K the kinetic energy of the protons is 35 meV less than that in ice Ih at the same temperature, and the high momentum tail of the distribution, characteristic of the molecular covalent bond, is not present. We observe a phase transition between 230 and 268 K to a phase that does resemble ice Ih. Although there is yet no model for water that explains the low temperature momentum distribution, our data reveal that the protons in the hydrogen bonds are coherently delocalized and that the low temperature phase is a qualitatively new phase of ice.
