Kinetic energy of oxygen atoms in water and in silica hydrogel

Y. Finkelstein; D. Nemirovsky; R. Moreh

doi:10.1016/j.chemphys.2020.110716

Kinetic energy of oxygen atoms in water and in silica hydrogel

Y. Finkelstein, D. Nemirovsky, R. Moreh

Department of Physics

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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 language	English
Article number	110716
Journal	Chemical Physics
Volume	533
DOIs	https://doi.org/10.1016/j.chemphys.2020.110716
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

Physics and Astronomy (all)
Physical and Theoretical Chemistry

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10.1016/j.chemphys.2020.110716

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title = "Kinetic energy of oxygen atoms in water and in silica hydrogel",

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.",

keywords = "Atomic kinetic energy, Deep inelastic neutron scattering, HO, Nano-confinement, Silanol, Silica hydrogel, Vibrational density of states",

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T1 - Kinetic energy of oxygen atoms in water and in silica hydrogel

AU - Finkelstein, Y.

AU - Nemirovsky, D.

AU - Moreh, R.

PY - 2020/5/1

Y1 - 2020/5/1

N2 - 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.

AB - 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.

KW - Atomic kinetic energy

KW - Deep inelastic neutron scattering

KW - HO

KW - Nano-confinement

KW - Silanol

KW - Silica hydrogel

KW - Vibrational density of states

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JO - Chemical Physics

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Kinetic energy of oxygen atoms in water and in silica hydrogel

Abstract

Keywords

ASJC Scopus subject areas

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