Abstract
The effect of temperature on the mean kinetic energy of Oxygen, Ke(O), in silica hydrogel (constituting of water confined in a silica Xerogel matrix) was computed between 5 and 325 K. The results are higher by up to 40% than those deduced from a recent deep inelastic neutron scattering (DINS) measurement. Note that when the mean kinetic energy of Hydrogen Ke(H) was computed using the same method a good agreement was obtained with the DINS measurement. This seems to indicate that the measured Ke(O) values are strongly underestimated due to the DINS method of analysis of the n-scattering intensities as discussed in the text.
| Original language | English |
|---|---|
| Article number | 110716 |
| Journal | Chemical Physics |
| Volume | 533 |
| DOIs | |
| State | Published - 1 May 2020 |
Keywords
- Atomic kinetic energy
- Deep inelastic neutron scattering
- HO
- Nano-confinement
- Silanol
- Silica hydrogel
- Vibrational density of states
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry
Fingerprint
Dive into the research topics of 'Kinetic energy of oxygen atoms in water and in silica hydrogel'. Together they form a unique fingerprint.Cite this
- APA
- Author
- BIBTEX
- Harvard
- Standard
- RIS
- Vancouver