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What makes ionic fluids characteristically ionic? A corresponding-states analysis of the surface tension of an ionic model fluid with variable dispersion interactions
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10.1063/1.3555319
/content/aip/journal/jcp/134/9/10.1063/1.3555319
http://aip.metastore.ingenta.com/content/aip/journal/jcp/134/9/10.1063/1.3555319

Figures

Image of FIG. 1.
FIG. 1.

Densities ρ* of the coexisting phases (open symbols) as a function of temperature * and estimates of the location of the critical point (filled symbols) for λ = 0 (circles), λ = 0.05 (squares), λ = 0.2 (diamonds), and λ = 0.3 (triangles).

Image of FIG. 2.
FIG. 2.

Densities ρ* of the coexisting phases (open symbols) as a function of temperature * and estimates of the location of the critical point (filled symbols) for λ = 0.4 (circles), λ = 0.5 (squares), λ = 0.7 (diamonds), and λ = 1.0 (triangles).

Image of FIG. 3.
FIG. 3.

Surface tension γ* (open symbols) as a function of temperature * for λ = 0 (circles), λ = 0.05 (squares), λ = 0.2 (diamonds), and λ = 0.3 (triangles). The filled symbols mark the respective critical temperature estimated from γ*(*) by fitting to Eq. (9) ; the fits themselves are represented by continuous lines.

Image of FIG. 4.
FIG. 4.

Surface tension γ* (open symbols) as a function of temperature * for λ = 0.4 (circles), λ = 0.5 (squares), λ = 0.7 (diamonds), and λ = 1.0 (triangles). The filled symbols mark the respective critical temperature estimated from γ*(*) by fitting to Eq. (9) ; the fits themselves are represented by continuous lines.

Image of FIG. 5.
FIG. 5.

Diameter of the coexistence curve (open symbols) as a function of temperature * for λ = 0 (circles), λ = 0.05 (squares), λ = 0.2 (diamonds), and λ = 0.3 (triangles). The continuous lines represent the correlations for given in Table I . The estimated locations of the respective critical point are marked by filled symbols.

Image of FIG. 6.
FIG. 6.

Diameter of the coexistence curve (open symbols) as a function of temperature * for λ = 0.4 (circles), λ = 0.5 (squares), λ = 0.7 (diamonds), and λ = 1.0 (triangles). The continuous lines represent the correlations for given in Table I . The estimated locations of the respective critical point are marked by filled symbols.

Image of FIG. 7.
FIG. 7.

Variation of the critical temperature (circles connected by continuous lines) and of the critical density (squares connected by dashed lines) with λ; shown are the simulation results (open symbols) and the predictions of a simple MSA-based theory (filled symbols) as defined by Eq. (11) .

Image of FIG. 8.
FIG. 8.

Reduced surface tension γ as a function of the reduced temperature / for 0 ⩽ λ ⩽ 1.0. Shown are the data for λ = 0 (black open circles), λ = 0.05 (blue open squares), λ = 0.2 (green open diamonds), λ = 0.3 (red open triangles), λ = 0.4 (black filled circles), λ = 0.5 (blue filled squares), λ = 0.7 (green filled diamonds), and λ = 1.0 (red filled triangles). The dashed line represents our data for the conventional Lennard-Jones fluid.

Image of FIG. 9.
FIG. 9.

Comparison of the reduced surface tension γ as a function of the reduced temperature / for real fluids (filled symbols) and for the model fluids with selected values of λ (open symbols). Shown are data for the simple fluid argon (black filled circles), the polar fluid CHClF (blue filled diamonds), and the molten salts NaCl (red filled triangles up and down) and KCl (green filled triangles left and right), for which two sets of critical parameters have been employed (see main text). Generic results for room temperature ionic liquids are exemplified by data for [bmim][BF] (orange filled circles) and for [bmim][NTf] (gray filled squares). For comparison, the simulation results for λ = 0 (black open circles), λ = 0.05 (blue open squares), λ = 0.2 (green open diamonds), and λ = 1.0 (red open triangles) are indicated.

Tables

Generic image for table
Table I.

Critical temperature and critical density for different values of λ; correlation between the diameter of the coexistence curve, , and the temperature *.

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/content/aip/journal/jcp/134/9/10.1063/1.3555319
2011-03-02
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: What makes ionic fluids characteristically ionic? A corresponding-states analysis of the surface tension of an ionic model fluid with variable dispersion interactions
http://aip.metastore.ingenta.com/content/aip/journal/jcp/134/9/10.1063/1.3555319
10.1063/1.3555319
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