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.
Skip Nav Destination
Article navigation
14 May 2014
Research Article|
May 13 2014
Thermodynamics and structure of a two-dimensional electrolyte by integral equation theory
Jana Aupic;
Jana Aupic
Faculty of Chemistry and Chemical Technology,
University of Ljubljana
, Aškerčeva 5, SI-1000 Ljubljana, Slovenia
Search for other works by this author on:
Tomaz Urbic
Tomaz Urbic
a)
Faculty of Chemistry and Chemical Technology,
University of Ljubljana
, Aškerčeva 5, SI-1000 Ljubljana, Slovenia
Search for other works by this author on:
a)
Electronic mail: tomaz.urbic@fkkt.uni-lj.si
J. Chem. Phys. 140, 184509 (2014)
Article history
Received:
April 01 2014
Accepted:
April 25 2014
Citation
Jana Aupic, Tomaz Urbic; Thermodynamics and structure of a two-dimensional electrolyte by integral equation theory. J. Chem. Phys. 14 May 2014; 140 (18): 184509. https://doi.org/10.1063/1.4875346
Download citation file:
Pay-Per-View Access
$40.00
Sign In
You could not be signed in. Please check your credentials and make sure you have an active account and try again.
Citing articles via
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
A theory of pitch for the hydrodynamic properties of molecules, helices, and achiral swimmers at low Reynolds number
Anderson D. S. Duraes, J. Daniel Gezelter
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.
Related Content
A structural study of a two-dimensional electrolyte by Monte Carlo simulations
J. Chem. Phys. (January 2015)
Extending correlation functions of molecular dynamics simulation by Kovalenko–Hirata and Kobryn–Gusarov–Kovalenko closures for monatomic Lennard-Jones solvent and its application to a calculation of solvation
AIP Advances (February 2021)
Correctness of certain integral equation theories for core-softened fluids
J. Chem. Phys. (June 2013)
A pressure consistent bridge correction of Kovalenko-Hirata closure in Ornstein-Zernike theory for Lennard-Jones fluids by apparently adjusting sigma parameter
AIP Advances (May 2016)
Properties of the two-dimensional heterogeneous Lennard-Jones dimers: An integral equation study
J. Chem. Phys. (November 2016)