Effect of fine-tuning pore structures on the dynamics of confined water
Abstract
Confinement of water in sub-nanometer pores strongly alters its vibrational dynamics from that of bulk water. The effect of confinement can, moreover, be finely tuned by small changes in the size and symmetry of the confining pore. Using inelastic neutron scattering (INS), we recently studied the dynamics of water confined in the channels of beryl and cordierite in which, at low temperatures, water shows similar behavior, indicating an absence of hydrogen bonds acting on the water molecule and a shallow water potential in the direction perpendicular to the channels. In addition, we observed multiple tunneling modes (between 0.66 and 14.7 meV) in the INS spectra of beryl due to transitions between the split ground-state of the water protons. Here, we introduce a study of (i) the effect of pressure on the dynamics of water in beryl, (ii) the dynamics of water in beryl containing alkali metals (which results in changing the orientation of the water molecule in the crystal), and (iii) the dynamics of water in cordierite at low energies. We found a shift in the tunneling and vibrational modes of water in beryl to higher energies at 22 kbar relative to 1 bar. No tunneling modes were observed formore »
- Authors:
-
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Scattering Division
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division
- Univ. of Manitoba, Winnipeg, Manitoba (Canada). Dept. of Geological Sciences
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Physical Sciences Division
- Publication Date:
- Research Org.:
- Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division; USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division; Natural Sciences and Engineering Research Council of Canada (NSERC)
- OSTI Identifier:
- 1545022
- Alternate Identifier(s):
- OSTI ID: 1518527; OSTI ID: 1523736
- Report Number(s):
- PNNL-SA-142207
Journal ID: ISSN 0021-9606
- Grant/Contract Number:
- AC05-76RL01830; AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Chemical Physics
- Additional Journal Information:
- Journal Volume: 150; Journal Issue: 20; Journal ID: ISSN 0021-9606
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Kolesnikov, A. I., Anovitz, L. M., Hawthorne, F. C., Podlesnyak, A., and Schenter, G. K. Effect of fine-tuning pore structures on the dynamics of confined water. United States: N. p., 2019.
Web. doi:10.1063/1.5096771.
Kolesnikov, A. I., Anovitz, L. M., Hawthorne, F. C., Podlesnyak, A., & Schenter, G. K. Effect of fine-tuning pore structures on the dynamics of confined water. United States. https://doi.org/10.1063/1.5096771
Kolesnikov, A. I., Anovitz, L. M., Hawthorne, F. C., Podlesnyak, A., and Schenter, G. K. Tue .
"Effect of fine-tuning pore structures on the dynamics of confined water". United States. https://doi.org/10.1063/1.5096771. https://www.osti.gov/servlets/purl/1545022.
@article{osti_1545022,
title = {Effect of fine-tuning pore structures on the dynamics of confined water},
author = {Kolesnikov, A. I. and Anovitz, L. M. and Hawthorne, F. C. and Podlesnyak, A. and Schenter, G. K.},
abstractNote = {Confinement of water in sub-nanometer pores strongly alters its vibrational dynamics from that of bulk water. The effect of confinement can, moreover, be finely tuned by small changes in the size and symmetry of the confining pore. Using inelastic neutron scattering (INS), we recently studied the dynamics of water confined in the channels of beryl and cordierite in which, at low temperatures, water shows similar behavior, indicating an absence of hydrogen bonds acting on the water molecule and a shallow water potential in the direction perpendicular to the channels. In addition, we observed multiple tunneling modes (between 0.66 and 14.7 meV) in the INS spectra of beryl due to transitions between the split ground-state of the water protons. Here, we introduce a study of (i) the effect of pressure on the dynamics of water in beryl, (ii) the dynamics of water in beryl containing alkali metals (which results in changing the orientation of the water molecule in the crystal), and (iii) the dynamics of water in cordierite at low energies. We found a shift in the tunneling and vibrational modes of water in beryl to higher energies at 22 kbar relative to 1 bar. No tunneling modes were observed for water in cordierite and type-II water in beryl. Thus, we conclude that very small differences in the size and structure of the pores and the orientation of the water molecule in these minerals result in changes in the potential of the water protons and drastic changes in the confined water dynamics.},
doi = {10.1063/1.5096771},
journal = {Journal of Chemical Physics},
number = 20,
volume = 150,
place = {United States},
year = {Tue May 28 00:00:00 EDT 2019},
month = {Tue May 28 00:00:00 EDT 2019}
}
Web of Science
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