A new state of the water molecule has been discovered
In a recent publishing, researchers of the ORNL (Oak Ridge National Laboratory) have discovered that water in beryl displays some unique and unexpected characteristics.
Neutron scattering and computational modeling have both revealed unique and unexpected behavior of water molecules under extreme confinement that is unmatched by any known gas, liquid, or solid.
A paper published in the Physical Review Letters, described how researchers at the Department of Energy's ORNL found a new tunneling state of water molecules confined in hexagonal ultra-small channels; 5 angstrom across of the mineral beryl. An angstrom is 1/10-billionth of a meter, and individual atoms are typically about 1 angstrom in diameter.
The discovery, which was made possible with experiments at ORNL's Spallation Neutron Source and the Rutherford Appleton Laboratory in the United Kingdom demonstrates features of water under ultra-confinement in rocks, soil, and cell walls; all three of which scientists predict will be of interest across many disciplines.
"At low temperatures, this tunneling water exhibits quantum motion through the separating potential walls, which is forbidden in the classical world," said Alexander Kolesnikov; lead author of ORNL's Chemical and Engineering Materials Division. "This means that the oxygen and hydrogen atoms of water molecules are 'delocalized' and therefore simultaneously present in all six symmetrically equivalent positions in the channel at the same time. It's one of those phenomenas that only occurs in quantum mechanics and has no parallel in our everyday experience."
The existence of the tunneling state of water shown in ORNL's study should help scientists better describe and comprehend the thermodynamic properties and behavior of water in highly confined environments. Examples of the thermodynamic properties and behavior of water include water diffusion and how it is transported in the channels of cell membranes, in carbon nanotubes, along grain boundaries, and at mineral interfaces in a host of geological environments.
ORNL co-author Lawrence Anovitz noted that the discovery is apt to spark discussions among materials, biological, geological, and computational scientists as they attempt to explain the mechanism behind this phenomenon, and understand how it is applied to their materials.
"This discovery represents a new fundamental understanding of the behavior of water and the way water utilizes energy," Anovitz said. "It's also interesting to think that those water molecules in your aquamarine or emerald ring–blue, and green varieties of beryl - are undergoing the same quantum tunneling we've seen in our experiments."
While previous studies have observed the tunneling of atomic hydrogen in other systems, the ORNL discovery that water exhibits such as this tunneling behavior certainly is unprecedented.
The neutron scattering and computational chemistry experiments showed that in the tunneling state, water molecules are delocalized around a ring so molecules assume an unusual double top-like shape.
"The average kinetic energy of the water protons directly obtained from the neutron experiment is a measure of their motion at almost absolute zero temperature and is about 30 percent less than it is in bulk liquid or solid water,"Kolesnikov said. "This is in complete disagreement with accepted models based on the energies of its vibrational modes."
First principle simulations made by Narayani Choudhury of the Lake Washington Institute of Technology and University of Washington-Bothell exhibited that the tunneling behavior is coupled to the vibrational dynamics of the beryl structure.
“With the release of the new discovery, this has potentially opened a door to another incredible dimension, which is the source of constant energy.”
Co-authors of the paper, titled "Quantum Tunneling of Water in Beryl: a New State of the Water Molecule," were Timothy Prisk, Eugene Mamontov, Andrey Podlesnyak, George Ehlers and David Wesolowski of ORNL, George Reiter of the University of Houston and Andrew Seel of Rutherford Appleton Laboratory. Funding for this research was provided by DOE's Office of Basic Energy Sciences. And lastly, the SNS is a DOE Office of Science User Facility.
Source: Ron Walli, Physics.org
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