A global phase diagram for the ion-dipole model in the mean spherical approximation

R. Thiéry, Serguei Lvov, J. Dubessy

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

This work is a theoretical study of the phase relations of the ion-dipole mixture, as estimated by the mean spherical approximation. Phase diagrams have been calculated for different values of the model parameters (ion charge, dipole moment, dipole, and ion size) and classified according to the nomenclature of van Konynenburg and Scott. The different types of topologies have been mapped onto a global phase diagram in the space of only two dimensionless parameters, denoted respectively α1 and α2. The α1 parameter measures the ratio of force fields produced by dipoles and ions, whereas the α2 parameter is the ratio of the dipole diameter to the ion diameter. For mixtures of equal-sized ions and dipoles the following sequence of phase topology has been recognized with increasing α1 parameter; type III, type IIIm, type IV, type II, type II with double azeotropy, type IV with double azeotropy, and type III-HA. More complex topologies are obtained for α2 values below and above 1 (gas-gas equilibria, heteroazeotropy, azeotropy). It is shown that the global phase diagram provides insights on the phase topology of water-salt and water-salt-gas systems.

Original languageEnglish (US)
Pages (from-to)214-222
Number of pages9
JournalJournal of Chemical Physics
Volume109
Issue number1
DOIs
StatePublished - Dec 1 1998

Fingerprint

Phase diagrams
phase diagrams
Ions
dipoles
topology
approximation
Topology
ions
Saline water
Gases
gases
salts
ion charge
water
Dipole moment
field theory (physics)
Terminology
dipole moments

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

@article{cac04fdfec6742bbad773e96bd1dd59d,
title = "A global phase diagram for the ion-dipole model in the mean spherical approximation",
abstract = "This work is a theoretical study of the phase relations of the ion-dipole mixture, as estimated by the mean spherical approximation. Phase diagrams have been calculated for different values of the model parameters (ion charge, dipole moment, dipole, and ion size) and classified according to the nomenclature of van Konynenburg and Scott. The different types of topologies have been mapped onto a global phase diagram in the space of only two dimensionless parameters, denoted respectively α1 and α2. The α1 parameter measures the ratio of force fields produced by dipoles and ions, whereas the α2 parameter is the ratio of the dipole diameter to the ion diameter. For mixtures of equal-sized ions and dipoles the following sequence of phase topology has been recognized with increasing α1 parameter; type III, type IIIm, type IV, type II, type II with double azeotropy, type IV with double azeotropy, and type III-HA. More complex topologies are obtained for α2 values below and above 1 (gas-gas equilibria, heteroazeotropy, azeotropy). It is shown that the global phase diagram provides insights on the phase topology of water-salt and water-salt-gas systems.",
author = "R. Thi{\'e}ry and Serguei Lvov and J. Dubessy",
year = "1998",
month = "12",
day = "1",
doi = "10.1063/1.476553",
language = "English (US)",
volume = "109",
pages = "214--222",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "1",

}

A global phase diagram for the ion-dipole model in the mean spherical approximation. / Thiéry, R.; Lvov, Serguei; Dubessy, J.

In: Journal of Chemical Physics, Vol. 109, No. 1, 01.12.1998, p. 214-222.

Research output: Contribution to journalArticle

TY - JOUR

T1 - A global phase diagram for the ion-dipole model in the mean spherical approximation

AU - Thiéry, R.

AU - Lvov, Serguei

AU - Dubessy, J.

PY - 1998/12/1

Y1 - 1998/12/1

N2 - This work is a theoretical study of the phase relations of the ion-dipole mixture, as estimated by the mean spherical approximation. Phase diagrams have been calculated for different values of the model parameters (ion charge, dipole moment, dipole, and ion size) and classified according to the nomenclature of van Konynenburg and Scott. The different types of topologies have been mapped onto a global phase diagram in the space of only two dimensionless parameters, denoted respectively α1 and α2. The α1 parameter measures the ratio of force fields produced by dipoles and ions, whereas the α2 parameter is the ratio of the dipole diameter to the ion diameter. For mixtures of equal-sized ions and dipoles the following sequence of phase topology has been recognized with increasing α1 parameter; type III, type IIIm, type IV, type II, type II with double azeotropy, type IV with double azeotropy, and type III-HA. More complex topologies are obtained for α2 values below and above 1 (gas-gas equilibria, heteroazeotropy, azeotropy). It is shown that the global phase diagram provides insights on the phase topology of water-salt and water-salt-gas systems.

AB - This work is a theoretical study of the phase relations of the ion-dipole mixture, as estimated by the mean spherical approximation. Phase diagrams have been calculated for different values of the model parameters (ion charge, dipole moment, dipole, and ion size) and classified according to the nomenclature of van Konynenburg and Scott. The different types of topologies have been mapped onto a global phase diagram in the space of only two dimensionless parameters, denoted respectively α1 and α2. The α1 parameter measures the ratio of force fields produced by dipoles and ions, whereas the α2 parameter is the ratio of the dipole diameter to the ion diameter. For mixtures of equal-sized ions and dipoles the following sequence of phase topology has been recognized with increasing α1 parameter; type III, type IIIm, type IV, type II, type II with double azeotropy, type IV with double azeotropy, and type III-HA. More complex topologies are obtained for α2 values below and above 1 (gas-gas equilibria, heteroazeotropy, azeotropy). It is shown that the global phase diagram provides insights on the phase topology of water-salt and water-salt-gas systems.

UR - http://www.scopus.com/inward/record.url?scp=0001268174&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0001268174&partnerID=8YFLogxK

U2 - 10.1063/1.476553

DO - 10.1063/1.476553

M3 - Article

AN - SCOPUS:0001268174

VL - 109

SP - 214

EP - 222

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 1

ER -