Free energy and phase equilibria for the restricted primitive model of ionic fluids from Monte Carlo simulations

Gerassimos Orkoulas; Athanassios Z. Panagiotopoulos

doi:10.1063/1.467770

Free energy and phase equilibria for the restricted primitive model of ionic fluids from Monte Carlo simulations

The Journal of Chemical Physics ◽

10.1063/1.467770 ◽

1994 ◽

Vol 101 (2) ◽

pp. 1452-1459 ◽

Cited By ~ 178

Author(s):

Gerassimos Orkoulas ◽

Athanassios Z. Panagiotopoulos

Keyword(s):

Monte Carlo ◽

Free Energy ◽

Phase Equilibria ◽

Monte Carlo Simulations ◽

Primitive Model ◽

Ionic Fluids ◽

Restricted Primitive Model

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Monte Carlo simulation of the nonadditive restricted primitive model of ionic fluids: Phase diagram and clustering

Physical Review E ◽

10.1103/physreve.87.052303 ◽

2013 ◽

Vol 87 (5) ◽

Cited By ~ 12

Author(s):

Riccardo Fantoni ◽

Giorgio Pastore

Keyword(s):

Phase Diagram ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Primitive Model ◽

Ionic Fluids ◽

Restricted Primitive Model

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Monte Carlo simulations of single-ion chemical potentials. Preliminary results for the restricted primitive model

Chemical Physics Letters ◽

10.1016/0009-2614(88)87028-3 ◽

1988 ◽

Vol 143 (2) ◽

pp. 140-144 ◽

Cited By ~ 27

Author(s):

Peter Sloth ◽

Torben Smith Sørensen

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Preliminary Results ◽

Primitive Model ◽

Restricted Primitive Model ◽

Chemical Potentials

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Grand Canonical Ensemble Monte Carlo Simulations of Donnan Potentials, Nonelectroneutrality, Activity Coefficients and Excess Energy in Spherical Charged or Uncharged Pores with Restricted Primitive Model Electrolytes

Molecular Simulation ◽

10.1080/08927029408021978 ◽

1994 ◽

Vol 13 (2) ◽

pp. 115-160 ◽

Cited By ~ 14

Author(s):

Sergio Roberto Rivera ◽

Torben Smith S⊘srensen

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Activity Coefficients ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Excess Energy ◽

Primitive Model ◽

Ensemble Monte Carlo ◽

Restricted Primitive Model ◽

Grand Canonical

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Monte Carlo simulations of restricted primitive model (RPM) electrolytes in non-Euclidean geometries

Journal of Electroanalytical Chemistry ◽

10.1016/s0022-0728(02)00909-9 ◽

2002 ◽

Vol 528 (1-2) ◽

pp. 135-144 ◽

Cited By ~ 9

Author(s):

Shabnam Hanassab ◽

T.J VanderNoot

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Primitive Model ◽

Restricted Primitive Model

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Monte Carlo simulations of the critical properties of the restricted primitive model

Condensed Matter Physics ◽

10.5488/cmp.7.4.741 ◽

2004 ◽

Vol 7 (4) ◽

pp. 741

Author(s):

Caillol

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Critical Properties ◽

Primitive Model ◽

Restricted Primitive Model

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Phase behavior of the restricted primitive model and square-well fluids from Monte Carlo simulations in the grand canonical ensemble

The Journal of Chemical Physics ◽

10.1063/1.477798 ◽

1999 ◽

Vol 110 (3) ◽

pp. 1581-1590 ◽

Cited By ~ 199

Author(s):

Gerassimos Orkoulas ◽

Athanassios Z. Panagiotopoulos

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Phase Behavior ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Primitive Model ◽

Restricted Primitive Model ◽

Square Well ◽

Grand Canonical

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Studies in statistical mechanics of Coulombic systems. II. Ergodic problems in Monte Carlo simulations of the restricted primitive model

The Journal of Chemical Physics ◽

10.1063/1.435856 ◽

1978 ◽

Vol 68 (3) ◽

pp. 1309-1311 ◽

Cited By ~ 20

Author(s):

B. Larsen ◽

S. A. Rogde

Keyword(s):

Monte Carlo ◽

Statistical Mechanics ◽

Monte Carlo Simulations ◽

Primitive Model ◽

Restricted Primitive Model ◽

Coulombic Systems

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Liquid-vapor transition and critical behavior of the ultrasoft restricted primitive model of polyelectrolytes: A Monte Carlo study

The Journal of Chemical Physics ◽

10.1063/1.4880239 ◽

2014 ◽

Vol 140 (21) ◽

pp. 214505 ◽

Cited By ~ 4

Author(s):

J.-M. Caillol ◽

D. Levesque

Keyword(s):

Monte Carlo ◽

Critical Behavior ◽

Monte Carlo Study ◽

Primitive Model ◽

Restricted Primitive Model ◽

Liquid Vapor

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A free-energy perturbation method based on Monte Carlo simulations using quantum mechanical calculations (QM/MC/FEP method): Application to highly solvent-dependent reactions

Journal of Computational Chemistry ◽

10.1002/jcc.21653 ◽

2010 ◽

Vol 32 (5) ◽

pp. 778-786 ◽

Cited By ~ 12

Author(s):

Kenji Hori ◽

Toru Yamaguchi ◽

Keita Uezu ◽

Michinori Sumimoto

Keyword(s):

Monte Carlo ◽

Free Energy ◽

Monte Carlo Simulations ◽

Perturbation Method ◽

Free Energy Perturbation ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations ◽

Energy Perturbation

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The liquid-vapor interface of the restricted primitive model of ionic fluids from a density functional approach

Condensed Matter Physics ◽

10.5488/cmp.14.13603 ◽

2011 ◽

Vol 14 (1) ◽

pp. 13603 ◽

Cited By ~ 3

Author(s):

Patrykiejew ◽

Sokołowski ◽

Pizio

Keyword(s):

Density Functional ◽

Functional Approach ◽

Vapor Interface ◽

Primitive Model ◽

Ionic Fluids ◽

Restricted Primitive Model ◽

Liquid Vapor

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