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Aggregation work at polydisperse micellization: Ideal solution and “dressed micelle” models comparing to molecular dynamics simulations
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10.1063/1.3519815
/content/aip/journal/jcp/133/24/10.1063/1.3519815
http://aip.metastore.ingenta.com/content/aip/journal/jcp/133/24/10.1063/1.3519815

Figures

Image of FIG. 1.
FIG. 1.

Nonionic aggregate distribution c n as a function of the aggregation number n at two total surfactant concentrations. Blue line —c = 0.14 Mol/l, red line— c = 0.38 Mol/l.

Image of FIG. 2.
FIG. 2.

Aggregation work W n for nonionic aggregates as a function of the aggregation number n. Blue line — c = 0.14 Mol/l; red line — c = 0.38 Mol/l; green line — the aggregation work W n at concentration c = 0.38 Mol/l, found with the help of Eq. (4).

Image of FIG. 3.
FIG. 3.

The ionic aggregate distribution c {n} at the total surfactant concentration c = 0.14 Mol/l.

Image of FIG. 4.
FIG. 4.

Dependence of the individual binding degree on the aggregation number n 1 (solid lines) and the values of the average binding degree (dashed lines). Blue color — c = 0.14 Mol/l; red color — c = 0.38 Mol/l.

Image of FIG. 5.
FIG. 5.

ln K {n} found with the help of Eq. (7) from MD data for ionic aggregates at total surfactant concentration c = 0.14 Mol/l (blue color) and c = 0.38 Mol/l (red color) as a function of the aggregation numbers n 1 and n 2.

Image of FIG. 6.
FIG. 6.

The aggregation work W {n} of ionic aggregates at total surfactant concentration c = 0.38 Mol/l as a function of the aggregation numbers n 1 and n 2. Also the projections of the isolines are shown on the base. “Waterfall” line is yellow, “watershed” line is black, saddle point is violet star.

Image of FIG. 7.
FIG. 7.

The intersection of the surfaces of aggregation works of ionic aggregates in rotated variables and at two total surfactant concentrations: c = 0.14 Mol/l (blue color) and c = 0.38 Mol/l (red color).

Image of FIG. 8.
FIG. 8.

The “waterfall” lines for aggregation work W {n} of ionic aggregates at two total surfactant concentrations: c = 0.14 Mol/l (blue line) and c = 0.38 Mol/l (red line).

Tables

Generic image for table
Table I.

The values of the energy parameter ɛ of LJ interactions between corresponding beads for aqueous solutions of ionic surfactant T2H+I, kJ/Mol.

Generic image for table
Table II.

The values of the energy parameter ɛ of LJ interactions between corresponding beads for aqueous solutions of nonionic surfactant T2H, kJ/Mol.

Generic image for table
Table III.

The duration of simulation t and the micellization degree α.

Generic image for table
Table IV.

The concentrations and concentration derivatives in the case of ionic surfactants.

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/content/aip/journal/jcp/133/24/10.1063/1.3519815
2010-12-28
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Aggregation work at polydisperse micellization: Ideal solution and “dressed micelle” models comparing to molecular dynamics simulations
http://aip.metastore.ingenta.com/content/aip/journal/jcp/133/24/10.1063/1.3519815
10.1063/1.3519815
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