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A study of the hydrogen bonds effect on the water density and the liquid-liquid transition

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  • Special topic: New advances in water and water systems
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Abstract

We study the hydrogen bonds effect on the water density as a function of temperature and pressure from the supercritical region to the metastable supercooled and amorphous phases. We identify two important thermodynamic thresholds, that is P* ≃ 2 kbar and T* ≃ 315 K, that separate two different water behaviors in terms of hydrogen bonding capability. For T < T* and P < P* the formation and stability of hydrogen bonded local structures are enhanced. The additional analyses of the proton NMR chemical shift and of the relaxation time confirm this evidence and highlight the structure breaking effects of the pressure. The investigation of both structural and dynamical quantities allow us to draw a complete picture of the water properties in terms of the temperature-pressure dependence of hydrogen bonding.

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Authors and Affiliations

  1. Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA, 02139, USA

    Francesco Mallamace & Sow-Hsin Chen

  2. Center for Polymer Studies and Department of Physics, Boston University, Boston, MA, 02215, USA

    Francesco Mallamace

  3. Dipartimento di Scienze Matematiche e Informatiche, Scienze Fisiche e Scienze della Terra (MIFT), Universitè di Messina, Messina, 98166, Italy

    Carmelo Corsaro, Enza Fazio & Domenico Mallamace

Authors
  1. Francesco Mallamace
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  2. Carmelo Corsaro
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  3. Enza Fazio
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  4. Sow-Hsin Chen
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  5. Domenico Mallamace
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Correspondence to Carmelo Corsaro.

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Mallamace, F., Corsaro, C., Fazio, E. et al. A study of the hydrogen bonds effect on the water density and the liquid-liquid transition. Sci. China Phys. Mech. Astron. 62, 107005 (2019). https://doi.org/10.1007/s11433-018-9397-2

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