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Kinetic energy of oxygen atoms in water and in silica hydrogel.

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Title: Kinetic energy of oxygen atoms in water and in silica hydrogel.
Authors: Finkelstein, Y.1 (AUTHOR) Jacobf@nrcn.org.il, Nemirovsky, D.2 (AUTHOR), Moreh, R.3 (AUTHOR)
Source: Chemical Physics. May2020, Vol. 533, pN.PAG-N.PAG. 1p.
Subjects: Kinetic energy, Inelastic neutron scattering, Deep inelastic collisions, Oxygen in water, Silica
Abstract: • The T-effect of the Oxygen kinetic energy, Ke(O), in silica hydrogel was DFT computed up to 325 K. • The results are higher by up to 40% than those measured by deep inelastic neutron scattering (DINS). • Subtraction of the SiO 2 contribution to the DINS values, results in negative Ke(O) of H 2 O. • This result is challenging as there is a need for more experiments to understand the huge deviation. 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. [ABSTRACT FROM AUTHOR]
Copyright of Chemical Physics is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: Kinetic energy of oxygen atoms in water and in silica hydrogel.
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  Data: <searchLink fieldCode="AR" term="%22Finkelstein%2C+Y%2E%22">Finkelstein, Y.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> Jacobf@nrcn.org.il</i><br /><searchLink fieldCode="AR" term="%22Nemirovsky%2C+D%2E%22">Nemirovsky, D.</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Moreh%2C+R%2E%22">Moreh, R.</searchLink><relatesTo>3</relatesTo> (AUTHOR)
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  Data: <searchLink fieldCode="JN" term="%22Chemical+Physics%22">Chemical Physics</searchLink>. May2020, Vol. 533, pN.PAG-N.PAG. 1p.
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  Data: <searchLink fieldCode="DE" term="%22Kinetic+energy%22">Kinetic energy</searchLink><br /><searchLink fieldCode="DE" term="%22Inelastic+neutron+scattering%22">Inelastic neutron scattering</searchLink><br /><searchLink fieldCode="DE" term="%22Deep+inelastic+collisions%22">Deep inelastic collisions</searchLink><br /><searchLink fieldCode="DE" term="%22Oxygen+in+water%22">Oxygen in water</searchLink><br /><searchLink fieldCode="DE" term="%22Silica%22">Silica</searchLink>
– Name: Abstract
  Label: Abstract
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  Data: • The T-effect of the Oxygen kinetic energy, Ke(O), in silica hydrogel was DFT computed up to 325 K. • The results are higher by up to 40% than those measured by deep inelastic neutron scattering (DINS). • Subtraction of the SiO 2 contribution to the DINS values, results in negative Ke(O) of H 2 O. • This result is challenging as there is a need for more experiments to understand the huge deviation. 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. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Chemical Physics is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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      – Type: doi
        Value: 10.1016/j.chemphys.2020.110716
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      – Code: eng
        Text: English
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        PageCount: 1
        StartPage: N.PAG
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      – SubjectFull: Kinetic energy
        Type: general
      – SubjectFull: Inelastic neutron scattering
        Type: general
      – SubjectFull: Deep inelastic collisions
        Type: general
      – SubjectFull: Oxygen in water
        Type: general
      – SubjectFull: Silica
        Type: general
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      – TitleFull: Kinetic energy of oxygen atoms in water and in silica hydrogel.
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              Text: May2020
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