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Title: Thermodynamic properties of bulk and confined water

Abstract

The thermodynamic response functions of water display anomalous behaviors. We study these anomalous behaviors in bulk and confined water. We use nuclear magnetic resonance (NMR) to examine the configurational specific heat and the transport parameters in both the thermal stable and the metastable supercooled phases. The data we obtain suggest that there is a behavior common to both phases: that the dynamics of water exhibit two singular temperatures belonging to the supercooled and the stable phase, respectively. One is the dynamic fragile-to-strong crossover temperature (T{sub L} ≃ 225 K). The second, T{sup *} ∼ 315 ± 5 K, is a special locus of the isothermal compressibility K{sub T}(T, P) and the thermal expansion coefficient α{sub P}(T, P) in the P–T plane. In the case of water confined inside a protein, we observe that these two temperatures mark, respectively, the onset of protein flexibility from its low temperature glass state (T{sub L}) and the onset of the unfolding process (T{sup *})

Authors:
 [1];  [1];  [2]; ;  [3];  [4]
  1. Dipartimento di Fisica e Scienza della Terra Università di Messina and CNISM, I-98168 Messina (Italy)
  2. Dipartimento di Scienze dell'Ambiente, della Sicurezza, del Territorio, degli Alimenti e della Salute, Università di Messina, I-98166 Messina (Italy)
  3. IPCF-CNR, I-98166 Messina (Italy)
  4. Center for Polymer Studies and Department of Physics, Boston University, Boston, Massachusetts 02215 (United States)
Publication Date:
OSTI Identifier:
22311048
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 141; Journal Issue: 18; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; COMPRESSIBILITY; FLEXIBILITY; GLASS; NUCLEAR MAGNETIC RESONANCE; PROTEINS; RESPONSE FUNCTIONS; SPECIFIC HEAT; THERMAL EXPANSION; WATER

Citation Formats

Mallamace, Francesco, Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, Center for Polymer Studies and Department of Physics, Boston University, Boston, Massachusetts 02215, Corsaro, Carmelo, Mallamace, Domenico, Vasi, Sebastiano, Vasi, Cirino, and Stanley, H. Eugene. Thermodynamic properties of bulk and confined water. United States: N. p., 2014. Web. doi:10.1063/1.4895548.
Mallamace, Francesco, Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, Center for Polymer Studies and Department of Physics, Boston University, Boston, Massachusetts 02215, Corsaro, Carmelo, Mallamace, Domenico, Vasi, Sebastiano, Vasi, Cirino, & Stanley, H. Eugene. Thermodynamic properties of bulk and confined water. United States. doi:10.1063/1.4895548.
Mallamace, Francesco, Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, Center for Polymer Studies and Department of Physics, Boston University, Boston, Massachusetts 02215, Corsaro, Carmelo, Mallamace, Domenico, Vasi, Sebastiano, Vasi, Cirino, and Stanley, H. Eugene. Fri . "Thermodynamic properties of bulk and confined water". United States. doi:10.1063/1.4895548.
@article{osti_22311048,
title = {Thermodynamic properties of bulk and confined water},
author = {Mallamace, Francesco and Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 and Center for Polymer Studies and Department of Physics, Boston University, Boston, Massachusetts 02215 and Corsaro, Carmelo and Mallamace, Domenico and Vasi, Sebastiano and Vasi, Cirino and Stanley, H. Eugene},
abstractNote = {The thermodynamic response functions of water display anomalous behaviors. We study these anomalous behaviors in bulk and confined water. We use nuclear magnetic resonance (NMR) to examine the configurational specific heat and the transport parameters in both the thermal stable and the metastable supercooled phases. The data we obtain suggest that there is a behavior common to both phases: that the dynamics of water exhibit two singular temperatures belonging to the supercooled and the stable phase, respectively. One is the dynamic fragile-to-strong crossover temperature (T{sub L} ≃ 225 K). The second, T{sup *} ∼ 315 ± 5 K, is a special locus of the isothermal compressibility K{sub T}(T, P) and the thermal expansion coefficient α{sub P}(T, P) in the P–T plane. In the case of water confined inside a protein, we observe that these two temperatures mark, respectively, the onset of protein flexibility from its low temperature glass state (T{sub L}) and the onset of the unfolding process (T{sup *})},
doi = {10.1063/1.4895548},
journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 18,
volume = 141,
place = {United States},
year = {2014},
month = {11}
}