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Kinetic energy of Oxygen atoms in water and in silica hydrogel
Chemical Physics ( IF 2.0 ) Pub Date : 2020-02-17 , DOI: 10.1016/j.chemphys.2020.110716
Y. Finkelstein , D. Nemirovsky , R. Moreh

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.



中文翻译:

水和二氧化硅水凝胶中氧原子的动能

计算得出温度对二氧化硅水凝胶(由限制在二氧化硅干凝胶基质中的水组成)中的氧气Ke(O)的平均动能的影响介于5到325 K之间。结果比那些高出40%由最近的深层非弹性中子散射(DINS)测量得出。注意,当使用相同方法计算氢Ke(H)的平均动能时,与DINS测量获得了良好的一致性。这似乎表明,由于本文所讨论的n散射强度的DINS分析方法,测得的Ke(O)值被大大低估了。

更新日期:2020-02-20
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