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Molecular diffusion in liquid crystals and chiral discrimination. II. Model calculations
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10.1063/1.2337626
/content/aip/journal/jcp/125/10/10.1063/1.2337626
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/10/10.1063/1.2337626

Figures

Image of FIG. 1.
FIG. 1.

The employed reference systems of axes: the molecular frame (MF), the laboratory frame (LF), the director frame (DF), and the second director frame . A left-handed twisted phase is depicted.

Image of FIG. 2.
FIG. 2.

The molecular frame (MF) axes, the location of the center of diffusion (CD), and the geometrical parameters for the ellipsoidal (prolate spheroid) molecule.

Image of FIG. 3.
FIG. 3.

The molecular frame (MF) axes, the location of the center of diffusion (CD), and the geometrical parameters for the bent-rod molecule.

Image of FIG. 4.
FIG. 4.

The molecular frame (MF) axes, the location of the center of diffusion (CD), and the geometrical parameters for the two enantiomers of the screw-propeller molecule.

Image of FIG. 5.
FIG. 5.

Effect of the phase biaxiality induced by the director’s twist on the diffusion coefficient along the helical axis. The profiles are referred to the ellipsoidal molecule. Open circles: calculations performed accounting for the twist of the director on the orientational potential. Full circles: calculations performed without accounting for the twist of the director on the orientational potential (see Table I for the employed parameters).

Image of FIG. 6.
FIG. 6.

Effect of the order parameter on the diffusion coefficient along the helical axis. The profiles are referred to the ellipsoidal molecule. The coefficients are scaled with respect to their value at infinite pitch, . Open circles: . Open squares: .

Image of FIG. 7.
FIG. 7.

Effect of the slowing down of the rotational motion about the short axes of the ellipsoidal molecule. Full circles: calculations performed with all the diffusion matrix elements in Table I. Open squares: calculations performed with the given in Table I but the transverse rotational diffusion coefficients reduced by a factor of 10, i.e., .

Image of FIG. 8.
FIG. 8.

Pitch dependence of the diffusion coefficient along the helical axis for the bent-rod molecule.

Image of FIG. 9.
FIG. 9.

Pitch dependence of the diffusion coefficient along the helical axis for the two enantiomers of the screw-propeller molecule.

Tables

Generic image for table
Table I.

Parametrization of the elipsoidal molecule employed in the calculation of .

Generic image for table
Table II.

Parametrization of the bent-rod molecule employed in the calculation of .

Generic image for table
Table III.

Parametrization of the two-disk screw propeller (the two enantiomers) employed in the calculation of .

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/content/aip/journal/jcp/125/10/10.1063/1.2337626
2006-09-08
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Molecular diffusion in liquid crystals and chiral discrimination. II. Model calculations
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/10/10.1063/1.2337626
10.1063/1.2337626
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