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Exploring parameter space effects on structure-property relationships of surfactants at liquid-liquid interfaces
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10.1063/1.3628452
/content/aip/journal/jcp/135/8/10.1063/1.3628452
http://aip.metastore.ingenta.com/content/aip/journal/jcp/135/8/10.1063/1.3628452
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Schematic of spherical solvents and amphiphilic chain construction within the Telo da Gama and Gubbins (Ref. 18) oil-water-surfactant model.

Image of FIG. 2.
FIG. 2.

Schematic of chain formation from a mixture of associating spheres using Wertheim's TPT1 (Refs. 57–60) in the complete bonding limit (Refs. 50 and 53).

Image of FIG. 3.
FIG. 3.

Effect of surfactant structure and bulk aqueous surfactant concentration on the scaled interfacial tension at P* = βP/ρ = 2.66 for a series of linear single tail surfactants. Predictions made using iSAFT for an oil molecule with m = 1 (solid curves) and m = 8 (dashed curves). Scaling factor (γ0) is the interfacial tension of the bare oil-water interface.

Image of FIG. 4.
FIG. 4.

Effect of surfactant structure and bulk aqueous surfactant concentration on the scaled interfacial tension at P* = βP/ρ = 2.66 for a series of diblock symmetric surfactants. Predictions made using iSAFT for an oil molecule with m = 1 (solid curves) and m = 8 (dashed curves). Scaling factor (γ0) is the interfacial tension of the bare oil-water interface.

Image of FIG. 5.
FIG. 5.

Equilibrium fluid microstructure from iSAFT for an H 7 T 7 surfactant using an m = 1 oil molecule with bulk mole fraction: (a) , (b) 10−18, (c) 10−15, and (d) 10−12. Curves are for the oil (black), water (blue), tail (green), head (red), and total (purple) segment density profiles.

Image of FIG. 6.
FIG. 6.

Detailed equilibrium segment density profiles for the symmetric diblock H 7 T 7 surfactant at bulk mole fraction (Figure 5(c)). Curves are the head group (red) and tail group (green) terminal (solid), central (dashed), and 5 internal (dotted) segment density profiles.

Image of FIG. 7.
FIG. 7.

Collapsed interfacial packing of a chain-like diblock symmetric surfactant approximated by a diatomic molecule with equivalent volume and the resulting “trapped” solvent molecules.

Image of FIG. 8.
FIG. 8.

Equilibrium fluid microstructure from iSAFT for an H 7 T 7 surfactant using an m = 8 oil molecule with bulk mole fraction: (a) , (b) 10−36, (c) 10−34, and (d) 10−32. Curves are for the oil (black), water (blue), tail (green), head (red), and total (purple) segment density profiles.

Image of FIG. 9.
FIG. 9.

Structure permutations containing a single head segment and six tail segments for assessing the shift in head group location.

Image of FIG. 10.
FIG. 10.

Performance effects on the scaled interfacial tension of (a) the bulk surfactant concentration in the aqueous phase (ρ* = ρsurfactantσ3) and (b) the number of surfactant molecules per unit area in the interface (N* = N surfactantσ2/A) for the H 1 T 6 (blur), T 1 H 1 T 5 (green), T 2 H 1 T 4 (red), and T 3 H 1 T 3 (black) structures depicted in Figure 9.

Image of FIG. 11.
FIG. 11.

Effect of (a) the total bulk aqueous phase surfactant concentration and (b) the total number of surfactant molecules in the interface on the scaled interfacial tension. Curves are iSAFT predictions for mixtures of H 1 T 3 and H 1 T 7 (blue) with the labeled bulk mole fractions and the reference curves for the H 1 T 3 (red), H 1 T 5 (green), and H 1 T 7 (black). The scaling factor is the interfacial tension of the bare oil-water interface.

Image of FIG. 12.
FIG. 12.

Equilibrium density profiles for an H 1 T 3 + H 1 T 7 mixed surfactant system from iSAFT for oil (black), water (blue), tail (green), head (red), and total (purple) segment densities. Dotted lines are H 1 T 3, and dashed lines are H 1 T 7. Fixed bulk mole fractions are ((a) and (b)), ((c) and (d)), ((a) and (c)), and ((b) and (d)).

Image of FIG. 13.
FIG. 13.

Magnified equilibrium density profiles from iSAFT for mixed surfactant system focusing on the head and tail segment profiles. See Figure 12 caption for description.

Image of FIG. 14.
FIG. 14.

Effects on the iSAFT predicted scaled interfacial tension for the dimensionless temperature (T* = k b T/ε) and surfactant concentration in the bulk aqueous phase for an H 1 T 5 surfactant. Plots show curves for (a) isotherms and (b) constant bulk compositions.

Image of FIG. 15.
FIG. 15.

Effect of dimensionless temperature (T*) and bulk oil phase mole fraction of surfactant on the iSAFT equilibrium density profiles for an H 1 T 5 surfactant. Curves are oil (black), water (blue), tail (green), head (red), and total (purple) segment density profiles at 1/T* = 0.75 ((a), (b), and (c)), 1.00 ((d), (e), and (f)), and 1.25 ((g), (h), and (i), with ((a), (d), and (g)), 0.10 ((b), (e), and (h)), and 0.20 ((c), (f), and (i)).

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/content/aip/journal/jcp/135/8/10.1063/1.3628452
2011-08-30
2014-04-25
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Exploring parameter space effects on structure-property relationships of surfactants at liquid-liquid interfaces
http://aip.metastore.ingenta.com/content/aip/journal/jcp/135/8/10.1063/1.3628452
10.1063/1.3628452
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