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Torsional conformation curve, effect

Figure 7 shows the distributions of (f in the isotropic phase of the simulated systems at temperatures close to the nematic/isotropic transition points. The distributions are practically featureless in the case of systems To and Tb (minor differences for these two systems are explained in Ref. [46]), while all features observed in the curves for systems T5 and Tq are seen to follow closely in position and intensity those present in the corresponding curves of Figure 4. Therefore, the distributions of

Figure 7 shows the distributions of (f in the isotropic phase of the simulated systems at temperatures close to the nematic/isotropic transition points. The distributions are practically featureless in the case of systems To and Tb (minor differences for these two systems are explained in Ref. [46]), while all features observed in the curves for systems T5 and Tq are seen to follow closely in position and intensity those present in the corresponding curves of Figure 4. Therefore, the distributions of <p are practically what is expected on the basis of the torsional potentials adopted in the simulations. As far as the angles r are concerned, their distribution (not shown for brevity) is characterized by a broad maximum centered between 80° and 120° in system Tq, with a second, much less intense maximum at 60° (explained in Ref. [46]). Not unexpectedly, the broad maximum is shifted between 120° and 140° in all other systems, due to the inclusion of the bending potential E. Overall, it can be concluded that the conformational distribution of the model trimers is scarcely affected by packing effects in the isotropic phase.

See other pages where Torsional conformation curve, effect is mentioned: [Pg.712]    [Pg.333]    [Pg.231]    [Pg.139]    [Pg.405]    [Pg.605]    [Pg.38]    [Pg.928]    [Pg.928]    [Pg.36]    [Pg.133]    [Pg.207]    [Pg.17]    [Pg.26]    [Pg.381]    [Pg.36]    [Pg.237]    [Pg.138]    [Pg.84]    [Pg.386]    [Pg.33]    [Pg.260]    [Pg.16]    [Pg.24]    [Pg.222]   


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