Literature DB >> 24070294

Core-softened fluids as a model for water and the hydrophobic effect.

Matej Huš1, Tomaz Urbic.   

Abstract

An interaction model with core-softened potential in three dimensions was studied by Monte Carlo computer simulations and integral equation theory. We investigated the possibility that a fluid with a core-softened potential can reproduce anomalies found experimentally in liquid water, such as the density anomaly, the minimum in the isothermal compressibility as a function of temperature, and others. Critical points of the fluid were also determined. We provided additional arguments that the old notion, postulating that only angular-dependent interactions result in density anomaly, is incorrect. We showed that potential with two characteristic distances is sufficient for the system to exhibit water-like behavior and anomalies, including the famous density maximum. We also found that this model can properly describe the hydrophobic effect.

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Year:  2013        PMID: 24070294      PMCID: PMC3790808          DOI: 10.1063/1.4821226

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  28 in total

1.  Generic mechanism for generating a liquid-liquid phase transition.

Authors:  G Franzese; G Malescio; A Skibinsky; S V Buldyrev; H E Stanley
Journal:  Nature       Date:  2001-02-08       Impact factor: 49.962

2.  Phase behavior and thermodynamic anomalies of core-softened fluids.

Authors:  Nigel B Wilding; James E Magee
Journal:  Phys Rev E Stat Nonlin Soft Matter Phys       Date:  2002-09-25

3.  Static and dynamic anomalies in a repulsive spherical ramp liquid: theory and simulation.

Authors:  Pradeep Kumar; Sergey V Buldyrev; Francesco Sciortino; Emanuela Zaccarelli; H Eugene Stanley
Journal:  Phys Rev E Stat Nonlin Soft Matter Phys       Date:  2005-08-01

4.  Thermodynamics and dynamics of the two-scale spherically symmetric Jagla ramp model of anomalous liquids.

Authors:  Limei Xu; Sergey V Buldyrev; C Austen Angell; H Eugene Stanley
Journal:  Phys Rev E Stat Nonlin Soft Matter Phys       Date:  2006-09-11

5.  A monatomic system with a liquid-liquid critical point and two distinct glassy states.

Authors:  Limei Xu; Sergey V Buldyrev; Nicolas Giovambattista; C Austen Angell; H Eugene Stanley
Journal:  J Chem Phys       Date:  2009-02-07       Impact factor: 3.488

6.  Evidence for liquid water during the high-density to low-density amorphous ice transition.

Authors:  Chae Un Kim; Buz Barstow; Mark W Tate; Sol M Gruner
Journal:  Proc Natl Acad Sci U S A       Date:  2009-03-03       Impact factor: 11.205

7.  Singularity-free interpretation of the thermodynamics of supercooled water.

Authors: 
Journal:  Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics       Date:  1996-06

8.  Perturbational view of inherent structures in water.

Authors: 
Journal:  Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics       Date:  1993-04

9.  Waterlike thermodynamic anomalies in a repulsive-shoulder potential system.

Authors:  N V Gribova; Yu D Fomin; Daan Frenkel; V N Ryzhov
Journal:  Phys Rev E Stat Nonlin Soft Matter Phys       Date:  2009-05-20

10.  Simple model of hydrophobic hydration.

Authors:  Miha Lukšič; Tomaz Urbic; Barbara Hribar-Lee; Ken A Dill
Journal:  J Phys Chem B       Date:  2012-05-21       Impact factor: 2.991

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  5 in total

1.  Properties of a soft-core model of methanol: an integral equation theory and computer simulation study.

Authors:  Matej Huš; Gianmarco Munaò; Tomaz Urbic
Journal:  J Chem Phys       Date:  2014-10-28       Impact factor: 3.488

2.  Properties of the two-dimensional heterogeneous Lennard-Jones dimers: An integral equation study.

Authors:  Tomaz Urbic
Journal:  J Chem Phys       Date:  2016-11-21       Impact factor: 3.488

3.  Properties of the Lennard-Jones dimeric fluid in two dimensions: an integral equation study.

Authors:  Tomaz Urbic; Cristiano L Dias
Journal:  J Chem Phys       Date:  2014-03-07       Impact factor: 3.488

4.  The hydrophobic effect in a simple isotropic water-like model: Monte Carlo study.

Authors:  Matej Huš; Tomaz Urbic
Journal:  J Chem Phys       Date:  2014-04-14       Impact factor: 3.488

5.  Nanoconfined Fluids: Uniqueness of Water Compared to Other Liquids.

Authors:  Fabio Leoni; Carles Calero; Giancarlo Franzese
Journal:  ACS Nano       Date:  2021-11-22       Impact factor: 15.881

  5 in total

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