Temperature dynamic

Zilker S J, Kador L, Friebel J, Vainer Y G, Kol chenko M A and Personov R I 1998 Comparison of photon echo, hole burning, and single molecule spectroscopy data on low-temperature dynamics of organic amorphous solids J. Phys. Chem 109 6780-90... 

For constant temperature dynamics where the constant temperature check box in the Molecular Dynamics Options dialog box is checked, the energy will not remain constant but will fluctuate as energy is exchanged with the bath. The temperature, depending on the value set for the relaxation constant, will approach con-stan cy. 

Although constrained dynamics is usually discussed in the context of the geometrically constrained system described above, the same techniques can have many other applications. For instance, constant-pressure and constant-temperature dynamics can be imposed by using constraint methods [33,34]. Car and Parrinello [35] describe the use of the extended Lagrangian to maintain constraints in the context of their ab initio MD method. (For more details on the Car-Parrinello method, refer to the excellent review by Gain and Pasquarrello [36].)... 

A reversible succession of order-order and order-disorder transition was observed for a poly(ethylene-a/f-propylene)- -poly(ethylene-co-butylene)-b-polystyrene terpolymer, which shows at room temperature non-hexagonally packed PS cylinders. Upon heating, this system reorganizes to a hexagonally packed one, and at higher temperatures dynamic-mechanical analysis indicates the transition to the disordered state [73],... 

A number of 1,1 -disubstituted 9,9 -bisfluoronylidenes (23) have been studied by variable-temperature (dynamic) NMR of their solutions, either immediately after dissolution of the solids at low temperature or after equilibration (65). It appears that the dominant configuration in equilibrated solutions is a twisted trans one (Newman projection along C=C shown on the right). In the solid, compounds 23b and 23c retain this configuration [as shown for 23b by X-ray analysis also (66)], whereas 23a possesses a cis configuration. 

Cadbury SL, Hannah DM, Milner AM, Pearson CP, Brown LE (2008) Stream temperature dynamics within a New Zealand glacierized river basin. River Res Appl 24 68... 

Brown LE, Hannah DM, Milner AM (2005) Spatial and temporal water column and streambed temperature dynamics within an alpine catchment implications for benthic communities. Hydrological Processes 19 1585... 

The measurements of Young s modulus in dependence of the temperature (dynamic-mechanical measurements, see Sect. 2.3.5.2) and the differential thermal analysis (DTA or DSC) are the most frequently used methods for determination of the glass transition temperature. In Table 2.10 are listed and values for several amorphous and crystalline polymers. 

Figure 7 Application of the dimer method to a two-dimensional test problem. Three different starting points are generated in the reactant region by taking extrema along a high temperature dynamical trajectory. From each one of these, the dimer isjirst translated only in the direction of the lowest mode, but once the dimer is out of the convex region a full optimization of the effective force is carried oat at each step (thus the kink in two of the paths). Each one of the three starting p>oints leads to a different saddle point in this case.

Hlavacek (1970) has shown that radiation between the solid catalyst and gas can significantly affect the temperature dynamics in packed bed systems operating in excess of 673 K. Since most packed bed systems usually operate well below these conditions, radiation terms are not explicitly included in the model. However, their effect can to some degree be accounted for in the overall heat transfer coefficients.4... 

Fig. 21. Gas temperature dynamics resulting from a step change of T0 from 573 to 593 K and of x o fr°m 0.06 to 0.07, type II conditions.

There is a wide-spread literature on methods for temperature-dependent viscosity estimation. Their discussion and further references can be found elsewhere [1,2,17,18,19,20,21], Usually, these methods are based on various input data, such as density, boiling point, and critical point. Dynamic viscosities of most gases increase with increasing temperature. Dynamic viscosities of most liquids, including water, decrease rapidly with increasing temperature [18]. 

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