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Implications of the effective one-component analysis of pair correlations in colloidal fluids with polydispersity
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10.1063/1.3643118
/content/aip/journal/jcp/135/12/10.1063/1.3643118
http://aip.metastore.ingenta.com/content/aip/journal/jcp/135/12/10.1063/1.3643118
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Figures

Image of FIG. 1.
FIG. 1.

Effect that the magnitude of the interparticle attraction ε/k B T has on the static structure of the polydisperse SW fluid described in the text in the dilute (ρσ3 → 0) limit. (a) [Main panel] Comparison of the reduced two-body excess entropy, −s (2)/ρσ3 k B (identical to −s ex/ρσ3 k B in this limit), computed using Eq. (A3), as well its effective one-component counterpart, , calculated using Eqs. (5) and (A5). [Inset] Comparison of the reduced structural order metric, τ/ρ1/3σ, computed using Eq. (A1), as well its effective one-component counterpart, τeff1/3σ, calculated using Eqs. (7) and (A5). Effective one-component quantities spuriously indicate the presence of structural anomalies (attractions apparently weaken structure) for energies ε/k B T less than the values indicated by the black dots. (b) [Main panel] The effective one-component radial distribution function g eff(r), computed using Eq. (A5), plotted versus reduced interparticle separation r/σ. [Inset] The interparticle potential, , of the effective one-component fluid.

Image of FIG. 2.
FIG. 2.

Partial radial distribution functions g 30j (r) describing correlations between the and the pseudo-components (j ∈ [1, 60]) of the polydisperse SW fluid obtained via MC simulations. Results are shown as a function of reduced interparticle separation r/σ and interaction diameter (σ30 + σ j )/2. Color (red-to-blue) corresponds to magnitude of g 30j (r) (high-to-low). Data are for a reduced density of ρσ3 = 1.05 and interparticle attractions of (top panel) ε/k B T = 0 (hard-sphere limit) and (bottom panel) ε/k B T = 2.5.

Image of FIG. 3.
FIG. 3.

Effect that magnitude of the interparticle attraction ε/k B T has on the static pair correlations of the polydisperse SW fluid at a reduced density of ρσ3 = 1.05. Data obtained via MC simulations. (a)–(f) Partial radial distribution functions g 30j (r) between and the pseudo-components for j = 10, 20, 30, 40, and 50 (with corresponding characteristic interaction diameters σ30j = 0.90, 0.95, 1.0, 1.05, and 1.10, respectively) and various values of ε/k B T. (g) Radial distribution function for the effective one-component description of the fluid, g eff(r), as a function of reduced particle center separation r/σ for conditions used to generate the data for panels (a)–(f).

Image of FIG. 4.
FIG. 4.

Effect that magnitude of interparticle attraction ε/k B T has on different structural order metrics for the polydisperse SW fluid at a reduced density of ρσ3 = 1.05. Data obtained via MC simulations. [Main panel] Negative thermodynamic excess entropy, −s ex/k B (diamonds), and its two-body approximation based on multicomponent, −s (2)/k B (squares), and effective one-component, (circles), descriptions of the system. [Inset] Translational structure metrics based on the effective one-component, τeff (circles), and multicomponent, τ (squares), descriptions of the system. Curves are guides to the eye.

Image of FIG. 5.
FIG. 5.

Reduced shear viscosity ηρ−2/3(mk B T)−1/2 plotted versus various structural order metrics based on static pair correlations for the polydisperse SW fluid: (a) [Main panel] negative two-body excess entropy, −s (2)/k B and [Inset] its effective one-component counterpart, . (b) [Main panel] translational structure metric, τ, and [Inset] its effective one-component counterpart, τeff. Structural data were obtained via the MC simulations of this study, and the dynamic data were extracted from the earlier molecular dynamics investigation of Krekelberg et al. 45 Open symbols represent data for ε/k B T > 2 and filled symbols for ε/k B T < 2. For the latter conditions, shear viscosity anomalously increases with ε/k B T (see Fig. 2 of Ref. 45)

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/content/aip/journal/jcp/135/12/10.1063/1.3643118
2011-09-29
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Implications of the effective one-component analysis of pair correlations in colloidal fluids with polydispersity
http://aip.metastore.ingenta.com/content/aip/journal/jcp/135/12/10.1063/1.3643118
10.1063/1.3643118
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