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Effect of lithium on the properties of a liquid crystal formed by sodium dodecylsulphate and decanol in aqueous solution
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10.1063/1.4811678
/content/aip/journal/jcp/139/1/10.1063/1.4811678
http://aip.metastore.ingenta.com/content/aip/journal/jcp/139/1/10.1063/1.4811678

Figures

Image of FIG. 1.
FIG. 1.

Atomic numeration of SDS and DeOH used in this work.

Image of FIG. 2.
FIG. 2.

Schematic representation of the bilayer model used in our study, resembling the structure of a molecular aggregate whose boundary effects were discarded in our simulations.

Image of FIG. 3.
FIG. 3.

Mean surface area per SDS molecule of the simulated bilayers, corresponding to the S1 and S2 samples in the absence and presence of lithium, respectively.

Image of FIG. 4.
FIG. 4.

Polarized light microscopy texture of magnetic field orientated samples S1 (a) and S2 (b). A comparison of these textures with previous reported textures of DNLLC in similar systems allows us to conclude that S1 and S2 are DNLLCs.

Image of FIG. 5.
FIG. 5.

H-NMR spectra of S1 and S2 samples.

Image of FIG. 6.
FIG. 6.

Differences in quadrupolar splitting (Δν(1) − Δν(2)) vs. carbon number of the SDS aliphatic chain.

Image of FIG. 7.
FIG. 7.

Experimental and calculated quadrupole splitting for the samples S1 and S2.

Image of FIG. 8.
FIG. 8.

Density profile along the -axis normal to the aggregate surface for the components of the system S2. Zero axis was placed in the middle of the aggregate bilayer.

Image of FIG. 9.
FIG. 9.

Charge density along the -axis normal to the aggregate surface of the system S2. Zero was located at the middle of the aggregate.

Image of FIG. 10.
FIG. 10.

Mean square displacement of sodium ions in bulk solution and at the aggregate/solution interface, corresponding to the samples S1 and S2 (in the absence and presence of lithium ions, respectively).

Image of FIG. 11.
FIG. 11.

Radial distribution function of sodium and lithium around sulphate and esther oxygens of the SDS, corresponding to the systems S1 (in the absence of lithium) and S2 (in the presence of lithium) in solution.

Image of FIG. 12.
FIG. 12.

Water dipole orientation from bulk water to the interior of the aggregate. The -axis is perpendicular to the surface of the aggregate, and zero of the -axis was placed in the middle of the aggregate.

Image of FIG. 13.
FIG. 13.

()⟩ calculated from simulation (points) and the solid line represents the fit to a multiexponential. For further information, see the text.

Tables

Generic image for table
Table I.

Atomic charge distribution for all the species involved in the simulations. The SDS and DeOH charge distributions were obtained by the semi-empiric CNDO method, and the SO charge distribution from 6-31G calculations. The atomic numeration for SDS and DeOH matches the corresponding numeration in Figure 1 .

Generic image for table
Table II.

Lennard-Jones parameters involved in our simulations, considering the potential equation .

Generic image for table
Table III.

Experimental and simulation H quadrupolar splitting (Δν) in Hz, relaxation time in ms for DHO and SDS-d, for the samples S1 (without lithium) and S2 (with lithium).

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/content/aip/journal/jcp/139/1/10.1063/1.4811678
2013-07-02
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Effect of lithium on the properties of a liquid crystal formed by sodium dodecylsulphate and decanol in aqueous solution
http://aip.metastore.ingenta.com/content/aip/journal/jcp/139/1/10.1063/1.4811678
10.1063/1.4811678
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