Literature DB >> 18352207

Predictions of dynamic behavior under pressure for two scenarios to explain water anomalies.

Pradeep Kumar1, Giancarlo Franzese, H Eugene Stanley.   

Abstract

Using Monte Carlo simulations and mean field calculations for a cell model of water we find a dynamic crossover in the orientational correlation time tau from non-Arrhenius behavior at high temperatures to Arrhenius behavior at low temperatures. This dynamic crossover is independent of whether water at very low temperature is characterized by a "liquid-liquid critical point" or by the "singularity-free" scenario. We relate tau to fluctuations of hydrogen bond network and show that the crossover found for tau for both scenarios is a consequence of the sharp change in the average number of hydrogen bonds at the temperature of the specific heat maximum. We find that the effect of pressure on the dynamics is strikingly different in the two scenarios, offering means to distinguish between them.

Entities:  

Year:  2008        PMID: 18352207     DOI: 10.1103/PhysRevLett.100.105701

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  7 in total

1.  More than one dynamic crossover in protein hydration water.

Authors:  Marco G Mazza; Kevin Stokely; Sara E Pagnotta; Fabio Bruni; H Eugene Stanley; Giancarlo Franzese
Journal:  Proc Natl Acad Sci U S A       Date:  2011-11-30       Impact factor: 11.205

2.  A tetrahedral entropy for water.

Authors:  Pradeep Kumar; Sergey V Buldyrev; H Eugene Stanley
Journal:  Proc Natl Acad Sci U S A       Date:  2009-12-14       Impact factor: 11.205

3.  Effect of hydrogen bond cooperativity on the behavior of water.

Authors:  Kevin Stokely; Marco G Mazza; H Eugene Stanley; Giancarlo Franzese
Journal:  Proc Natl Acad Sci U S A       Date:  2010-01-08       Impact factor: 11.205

4.  Understanding the role of hydrogen bonds in water dynamics and protein stability.

Authors:  Valentino Bianco; Svilen Iskrov; Giancarlo Franzese
Journal:  J Biol Phys       Date:  2011-10-01       Impact factor: 1.365

5.  Effect of hydrophobic environments on the hypothesized liquid-liquid critical point of water.

Authors:  Elena G Strekalova; Dario Corradini; Marco G Mazza; Sergey V Buldyrev; Paola Gallo; Giancarlo Franzese; H Eugene Stanley
Journal:  J Biol Phys       Date:  2011-11-11       Impact factor: 1.365

6.  A statistical mechanical theory for a two-dimensional model of water.

Authors:  Tomaz Urbic; Ken A Dill
Journal:  J Chem Phys       Date:  2010-06-14       Impact factor: 3.488

7.  Probing Adaptation of Hydration and Protein Dynamics to Temperature.

Authors:  Luan C Doan; Jayangika N Dahanayake; Katie R Mitchell-Koch; Abhishek K Singh; Nguyen Q Vinh
Journal:  ACS Omega       Date:  2022-06-13
  7 in total

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