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 language | English (US) |
|---|---|
| Pages (from-to) | 214-222 |
| Number of pages | 9 |
| Journal | Journal of Chemical Physics |
| Volume | 109 |
| Issue number | 1 |
| DOIs | |
| State | Published - Dec 1 1998 |
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All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry
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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 journal › Article
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.
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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 -