Literature DB >> 24832290

Thermodynamics and structure of a two-dimensional electrolyte by integral equation theory.

Jana Aupic1, Tomaz Urbic1.   

Abstract

Monte Carlo simulations and integral equation theory were used to predict the thermodynamics and structure of a two-dimensional Coulomb fluid. We checked the possibility that integral equations reproduce Kosterlitz-Thouless and vapor-liquid phase transitions of the electrolyte and critical points. Integral equation theory results were compared to Monte Carlo data and the correctness of selected closure relations was assessed. Among selected closures hypernetted-chain approximation results matched computer simulation data best, but these equations unfortunately break down at temperatures well above the Kosterlitz-Thouless transition. The Kovalenko-Hirata closure produces results even at very low temperatures and densities, but no sign of phase transition was detected.

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Year:  2014        PMID: 24832290      PMCID: PMC4032415          DOI: 10.1063/1.4875346

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


  9 in total

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Journal:  Phys Rev B Condens Matter       Date:  1992-08-01

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Authors:  E Lomba; J J Weis; F Lado
Journal:  J Chem Phys       Date:  2007-08-21       Impact factor: 3.488

6.  Cluster conformations and multipole distributions in ionic fluids. I. Two-dimensional systems of mobile ions.

Authors:  Ali Reza Mehrabi; Muhammad Sahimi
Journal:  J Chem Phys       Date:  2008-06-21       Impact factor: 3.488

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Authors: 
Journal:  Phys Rev B Condens Matter       Date:  1989-09-01

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Authors: 
Journal:  Phys Rev B Condens Matter       Date:  1987-10-01

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Journal:  Phys Rev B Condens Matter       Date:  1986-01-01
  9 in total
  1 in total

1.  A structural study of a two-dimensional electrolyte by Monte Carlo simulations.

Authors:  Jana Aupic; Tomaz Urbic
Journal:  J Chem Phys       Date:  2015-01-07       Impact factor: 3.488

  1 in total

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