Kinetic energy of oxygen atoms in water and in silica hydrogel

Y. Finkelstein, D. Nemirovsky, R. Moreh

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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 languageEnglish
Article number110716
JournalChemical Physics
Volume533
DOIs
StatePublished - 1 May 2020

Keywords

  • Atomic kinetic energy
  • Deep inelastic neutron scattering
  • HO
  • Nano-confinement
  • Silanol
  • Silica hydrogel
  • Vibrational density of states

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