Literature DB >> 24182057

Two-dimensional core-softened model with water like properties: Monte Carlo and integral equation study.

Tomaz Urbic1.   

Abstract

Monte Carlo simulations and integral equation theory were used to study the thermodynamics and structure of particles interacting through the smooth version of Stell-Hemmer interaction. We checked the possibility that a fluid with a core-softened potential reproduces anomalies of 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 showed that a potential with two characteristic distances is sufficient for the system to exhibit water-like behavior and anomalies, including the famous density maximum. We also showed that some versions of the integral equation theory completely fail to predict structure of such system, while others only predict it qualitatively.

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Year:  2013        PMID: 24182057      PMCID: PMC3829925          DOI: 10.1063/1.4827862

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


  9 in total

1.  Waterlike anomalies for core-softened models of fluids: two-dimensional systems.

Authors:  A Scala; M R Sadr-Lahijany; N Giovambattista; S V Buldyrev; H E Stanley
Journal:  Phys Rev E Stat Nonlin Soft Matter Phys       Date:  2001-03-29

2.  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

3.  Complex phase behavior induced by repulsive interactions

Authors: 
Journal:  Phys Rev Lett       Date:  2000-07-03       Impact factor: 9.161

4.  Generalization of the Wang-Landau method for off-lattice simulations.

Authors:  M Scott Shell; Pablo G Debenedetti; Athanassios Z Panagiotopoulos
Journal:  Phys Rev E Stat Nonlin Soft Matter Phys       Date:  2002-11-22

5.  Phase diagram of a two-dimensional system with anomalous liquid properties.

Authors:  Ahmad M Almudallal; Sergey V Buldyrev; Ivan Saika-Voivod
Journal:  J Chem Phys       Date:  2012-07-21       Impact factor: 3.488

6.  Entropy, diffusivity, and structural order in liquids with waterlike anomalies.

Authors:  Ruchi Sharma; Somendra Nath Chakraborty; Charusita Chakravarty
Journal:  J Chem Phys       Date:  2006-11-28       Impact factor: 3.488

7.  Waterlike anomalies for core-softened models of fluids: one dimension.

Authors:  M R Sadr-Lahijany; A Scala; S V Buldyrev; H E Stanley
Journal:  Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics       Date:  1999-12

8.  Liquid-liquid phase transition in supercooled silicon.

Authors:  Srikanth Sastry; C Austen Angell
Journal:  Nat Mater       Date:  2003-10-12       Impact factor: 43.841

9.  Water revisited.

Authors:  F H Stillinger
Journal:  Science       Date:  1980-07-25       Impact factor: 47.728

  9 in total
  3 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

  3 in total

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