Isotope quantum effects in water around the freezing point

The Journal of Chemical Physics
R T HartP A Egelstaff

Abstract

We have measured the difference in electronic structure factors between liquid H(2)O and D(2)O at temperatures of 268 and 273 K with high energy x-ray diffraction. These are compared to our previously published data measured from 279 to 318 K. We find that the total structural isotope effect increases by a factor of 3.5 over the entire range, as the temperature is decreased. Structural isochoric temperature differential and isothermal density differential functions have been used to compare these data to a thermodynamic model based upon a simple offset in the state function. The model works well in describing the magnitude of the structural differences above approximately 310 K, but fails at lower temperatures. The experimental results are discussed in light of several quantum molecular dynamics simulations and are in good qualitative agreement with recent temperature dependent, rotationally quantized rigid molecule simulations.

References

Apr 17, 2002·Physical Review Letters·V P ShpakovV R Belosludov
May 23, 2002·Biophysical Journal·Patrizia Cioni, Giovanni B Strambini
Oct 1, 1962·Biochemical Pharmacology·J F THOMSONJ J BUMMERT
Dec 20, 2003·Physical Review Letters·Bin ChenMichele Parrinello
Sep 16, 2004·The Journal of Chemical Physics·L Hernández de la Peña, P G Kusalik
Mar 24, 2005·Physical Review Letters·R T HartP A Egelstaff
Apr 7, 2005·Journal of the American Chemical Society·Lisandro Hernández de la Peña, Peter G Kusalik
Jul 13, 2006·The Journal of Physical Chemistry. a·L Hernandez de la PeñaP G Kusalik

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Citations

Aug 7, 2008·The Journal of Chemical Physics·Orkid CoskunerCarlos A Gonzalez
Sep 1, 2006·The Journal of Chemical Physics·Lisandro Hernández de la Peña, Peter G Kusalik
Aug 28, 2007·The Journal of Chemical Physics·Francesco PaesaniGregory A Voth
Apr 28, 2007·The Journal of Chemical Physics·K NygårdK Hämäläinen
Apr 15, 2016·The Journal of Physical Chemistry Letters·Saskia BucciarelliAnna Stradner
Nov 26, 2014·Proceedings of the National Academy of Sciences of the United States of America·Catalin GainaruAlexei P Sokolov
Mar 13, 2018·Physical Chemistry Chemical Physics : PCCP·Binh NguyenNicolas Giovambattista
Aug 14, 2018·Physical Chemistry Chemical Physics : PCCP·Violeta Fuentes-LandeteThomas Loerting
Jul 25, 2012·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Lawrie B SkinnerJohn B Parise
Sep 28, 2017·Physical Review Letters·Kyung Hwan KimAnders Nilsson
Sep 4, 2008·Physical Review Letters·A K Soper, C J Benmore
Feb 25, 2009·The Journal of Physical Chemistry. a·Orkid CoskunerCarlos A Gonzalez
Apr 11, 2009·The Journal of Physical Chemistry. B·Kjartan T WikfeldtLars G M Pettersson
Apr 24, 2009·The Journal of Physical Chemistry. B·Francesco Paesani, Gregory A Voth
Feb 4, 2010·The Journal of Physical Chemistry. B·Briesta S GonzálezLuis M Sesé
May 20, 2016·Chemical Reviews·Katrin Amann-WinkelLawrie Skinner

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