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Dynamics cause

Forbes M D E, Avdievich N I, Schulz G R and Ball J D 1996 Chain dynamics cause the disappearance of spin-correlated radical pair polarization in flexible biradicals J. Phys. Chem. 100 13 887-91... [Pg.1620]

SPACEEIL has been used to study polymer dynamics caused by Brownian motion (60). In another computer animation study, a modified ORTREPII program was used to model normal molecular vibrations (70). An energy optimization technique was coupled with graphic molecular representations to produce animations demonstrating the behavior of a system as it approaches configurational equiHbrium (71). In a similar animation study, the dynamic behavior of nonadiabatic transitions in the lithium—hydrogen system was modeled (72). [Pg.63]

For the operating conditions, the set-points of EC and DMC compositions at the top and bottom are 0.01 and 0.2996, respectively, and the bottom temperature should not exceed 140°C to prevent the decomposition of reactants. From these plots, it can be concluded that the MPC outperforms the PI controller in terms of response speed in disturbance rejection, maintaining the variables at set points, and optimization capability. Especially, the PI controller failed to maintain the DMC composition set-point due to the slow long-term dynamics caused by the interaction between the RD column and azeotropic recovery column. [Pg.668]

Ge and Fan (2005) developed a 3-D numerical model based on the level-set method and finite-volume technique to simulate the saturated droplet impact on a superheated flat surface. A 2-D vapor-flow model was coupled with the heat-transfer model to account for the vapor-flow dynamics caused by the Leidenfrost evaporation. The droplet is assumed to be spherical before the collision and the liquid is assumed to be incompressible. [Pg.29]

The aforementioned electrical potentials and the electrochemical events involved in the extra-cellular fluid dynamics caused by them around the tumor (viz. coronas) led Nordenstrom to propose the use of externally applied potential differences to cause changes that might lead to the destruction of the tumor, i.e., ECT of cancerous tissues. In 1978, he reported on the treatment of lung metastases in 20 patients by the method of ECT,10 based on earlier preliminary work on five patients. Since then, he has published very extensive studies on the electrochemical treatment (ECT) of tumors.12"18... [Pg.475]

As a last example of a molecular system exhibiting nonadiabatic dynamics caused by a conical intersection, we consider a model that recently has been proposed by Seidner and Domcke to describe ultrafast cis-trans isomerization processes in unsaturated hydrocarbons [172]. Photochemical reactions of this type are known to involve large-amplitode motion on coupled potential-energy surfaces [169], thus representing another stringent test for a mixed quantum-classical description that is complementary to Models 1 and II. A number of theoretical investigations, including quantum wave-packet studies [163, 164, 172], time-resolved pump-probe spectra [164, 181], and various mixed... [Pg.259]

An ultrashort light pulse is emitted at A and slightly later an ultrafast detection is made at B. The separation in time and space between A and B could be either (1) static because A and B are fixed in space as in most holography (in which case we would refer to the one who makes the experiment the rester (2) dynamic, caused by an ultrahigh velocity (v) of the person... [Pg.257]

For all discussions of atomic structure and dynamics caused by some external interaction, the natural measure with which to compare is given by the corresponding quantity of the atom itself. Hence, the hydrogen atom is used as a standard and provides the atomic units (au). In addition, if atomic units are used in theoretical expressions, the equations look somewhat simpler. The most important atomic units needed in the present context are (for the numerical values see [CTa87]) ... [Pg.273]

As a result of the above investigations, the designer has determined the operational dynamic cause of the problem, verified that the cause is resonant vibration, and defined the resonant frequencies with the high dynamic response. [Pg.347]

In many applications it is often reasonable to suppose that the bath subsystem dynamics causes slow mixing of the quantum subsystem states. If the relevant experimental measurements involve time scales shorter than the quantum subsystem mixing time, one can proceed as if the bath dynamics occurs in a single quantum subsystem state. This is the adiabatic approximation and in this limit (43) can be simplified by making the following substitutions a = j3 (the forward path begins and ends in the same quantum subsystem state), and similarly for the backward path we have a = / . Thus the adiabatic approximation to the correlation function is obtained as... [Pg.575]

MD simulations of [C6mim][PF6] and water mixtures were carried out [98], The authors found water to be closely associated with the anions and that its presence enhances both the translational and rotational dynamics of the IL. The mean square displacement and rotational correlation functions reflected that the diffusive regime was achieved faster when water was present in the IL or the observed decay of correlations was faster when water was present, respectively [98], From this the authors deduced that the experimentally observed decrease in viscosity is a consequence of the faster translational and rotational dynamics caused by the presence of water [98], In agreement with experiments, the authors found that the fluorescence spectra of Coumarin-153 is red-shifted because of the presence of water [98],... [Pg.239]

Use of oxygen in the reactor calls for adequate consideration of airflow (air plus oxygen) volume, as this can imbalance the fluid dynamics, causing a certain distribution of particles sizes to become airborne and adversely affecting the residence time and product quality. [Pg.207]

The oscillating factors exp [—i ( — ) t] are characteristic for the "unitary-type" dynamics caused by the commutator part —i [H, p] of the master Eq. (24) for the reduced (or relevant) density matrix p. These factors have the absolute value 1 and do not affect the numerical value of the transition rate. [Pg.561]

Following the above procedure, we used the NMR data of Hatada, et al. to estimate the correlation function for a bond in the chain backbone. The resulting estimate was 2.5 times faster than results obtained in the optical experiments. The difference represents either the crudeness of the method used for comparison, or the perturbation of the chain dynamics caused by the presence of the label in the optical experiments. In the future, we will perform measurements with both techniques on systems where the two sets of results can be more easily correlated. [Pg.80]

Mahlman, J.D., and S.B. Fels, Antarctic ozone decreases A dynamical cause Geophys Res Lett 13, 1316, 1986. [Pg.518]

Phase diagram studies by NMR are generally based on the fact that the rapid molecular dynamics causes an elimination of any spin interactions to an extent that is directly related to the degree of anisotropy of the structure. The most important use of NMR is to distinguish between phases that give residual dipolar or quadrupolar interactions and phases that do not in general, this also marks the difference between optically anisotropic and optically isotropic phases. Whether residual couplings are seen depends on the extension of the anisotropic domains (microcrystallite sizes) in combination with the rate of molecular diffusion. [Pg.347]

The basic task of Engineering Geo-Dynamics of Rock-mass (EGDR) is to reveal the interaction of rock-mass and engineering geological dynamic factors. The research of it will focus on dynamic causes and characteristics of rock material and its structure, the crustal dynamics environment of rock occurrence, dynamics and the process of rock, and the prevention principle for engineering disaster of rock-mass. [Pg.542]


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See also in sourсe #XX -- [ Pg.647 , Pg.697 ]




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