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Trimers nematic-isotropic transition temperatures

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.
The values of y were similarly obtained for dimer CBA- (n = 9,10) and trimer CBA-Tn (n = 9,10). These compounds exhibit the nematic LC phase over a limited temperature range, hampering an accurate estimation of y by the extrapolation from this phase. Accordingly the y values were estimated by method 1 only from higher-temperature phases i.e., y i values are estimated from the isotropic phase, and ycN values from the nematic phase [95]. The ytr values thus derived are all accommodated in Tables 2 and 3, respectively, for the NI and CN transitions. Thermal pressure coefficients of monomer liquid crystals such as 4-cyano-4 -alkylbiphenyls ( CB) and 4-cyano-4 -alkoxybiphenyls ( OCB) are available in the article by OrwoU et al. [112]. The y values applicable to the NI transition of these compounds are cited in Table 4 for comparison. As shown in these tables, use of the volume change A Vtr at the transition (column 4) leads to the estimate of the volume-dependent entropy ASy (column 5) according to Eq. 3. [Pg.141]

Figure 10 plots the distribution of the torsion angle ip defined by the directions of the three rigid groups in a trimer molecule for system T5 in the nematic liquid at two different temperatures (note that if> is not equaJ to the torsion angle

Figure 10 plots the distribution of the torsion angle ip defined by the directions of the three rigid groups in a trimer molecule for system T5 in the nematic liquid at two different temperatures (note that if> is not equaJ to the torsion angle <p defined in Figure 1). The dotted curve shows the distribution of ip for any three random vectors chosen at random from the orientational distribution of Figure 6. The distribution for system To in the nematic liquid near the transition point is practicadly concident with the dotted curve, while the distribution for all other simulated systems is very similar to that for system T5 at 300K. The distributions of ip are perfectly uniform in the isotropic liquid, as expected considering that the torsion angle (p was left completely free in all simulations.

See other pages where Trimers nematic-isotropic transition temperatures is mentioned: [Pg.78]    [Pg.149]    [Pg.285]    [Pg.95]    [Pg.106]    [Pg.138]    [Pg.138]   
See also in sourсe #XX -- [ Pg.40 ]




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Isotropic nematic transition

Isotropic temperature

Isotropic-nematic

Isotropic-nematic transition temperatur

Isotropization temperature

Temperature nematic-isotropic

Trimeric

Trimerization

Trimers

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