Comment to “Dynamics of supercooled confined water measured by deep inelastic neutron scattering”

Abstract

We comment on the findings of “Dynamics of supercooled confined water measured by deep inelastic neutron scattering”, by V. De Michele, G. Romanelli, and A. Cupane [Front. Phys. 13, 138205 (2018)]. We show that the current sensitivity of the deep inelastic neutron scattering (DINS) method, cannot detect with confidence small differences in the proton kinetic energy, Ke(H), involved in a liquid-liquid transition in supercooled water confined in nanoporous silica. We also critisize the calculation of Ke(H) carried out in Front. Phys. 13, 138205 (2018).

Keywords

supercooled water / liquid–liquid transition / deep inelastic neutron scattering / libration / vibrational density of states / proton kinetic energy

References

[1] V. De Michele, G. Romanelli, and A. Cupane, Dynamics of supercooled confined water measured by deep inelastic neutron scattering, Front. Phys. 13(1), 138205 (2018)

[2] C. Andreani, M. Krzystyniak, G. Romanelli, R. Senesi, and F. Fernandez-Alonso, Electron-volt neutron spectroscopy: Beyond fundamental systems, Adv. Phys. 66(1), 1 (2017)

[3] C. Andreani, G. Romanelli, and R. Senesi, Direct measurements of quantum kinetic energy tensor in stable and metastable water near the triple point: An experimental benchmark, J. Phys. Chem. Lett. 7(12), 2216 (2016)

[4] R. Senesi, G. Romanelli, M. A. Adams, and C. Andreani, Temperature dependence of the zero point kinetic energy in ice and water above room temperature, Chem. Phys. 427, 111 (2013)

[5] V. De Michele, G. Romanelli, and A. Cupane, Kinetic energy and radial momentum distribution of hydrogen and oxygen atoms of water confined in silica hydrogel in the temperature interval 170–325 K, Sci. China Phys. Mech. & Astron. 62, 107012 (2019)

[6] Y. Finkelstein and R. Moreh, Applying semi-empirical quantum harmonic calculations for studying the atomic kinetic energies in hydrogen bonded systems, Curr. Phys. Chem. 7(1), 3 (2017)

[7] Y. Finkelstein and R. Moreh, Temperature dependence of the proton kinetic energy in water between 5 and 673 K, Chem. Phys. 431–432, 58 (2014)

[8] A. Cupane, M. Fomina, and G. Schirò, The boson peak of deeply cooled confined water reveals the existence of a low-temperature liquid-liquid crossover, J. Chem. Phys. 141, 18C510 (2014)

[9] Y. Finkelstein and R. Moreh, On H-dynamics of supercooled water confined in nanoporous silica, Chem. Phys. 523, 83 (2019)

[10] A. I. Kolesnikov, J. M. Zanotti, C. K. Loong, P. Thiyagarajan, A. P. Moravsky, R. O. Loutfy, and C. J. Burnham, Anomalously soft dynamics of water in a nanotube: A revelation of nanoscale confinement, Phys. Rev. Lett. 93(3), 035503 (2004)

[11] F. Lehmkühler, Y. Forov, T. Büning, C. J. Sahle, I. Steinke, K. Julius, T. Buslaps, M. Tolan, M. Hakala, and C. Sternemann, Intramolecular structure and energetics in supercooled water down to 255 K, Phys. Chem. Chem. Phys. 18(9), 6925 (2016)

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