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Hard link model

In Section 8.2 we found that the reaction cross section provides the link between the rate constant and collision dynamics. However, Q , i,J) is just a function of the collision energy and the internal states of the reactants. The outcome of a single collision also depends upon the impact parameter, as demonstrated for the simple hard-sphere model of reaction cross section discussed in Section 8.4. The probability of a specific result p(b, e, i, j) is dependent on all these variables. In Section 8.4 we showed that the relative importance of a collision with impact parameter between b and b + db % proportional to the annular area Inb db. The reaction cross section is found by multiplying the weighting factor for a particular b by the probability of a specific result and integrating over all values of the impact parameter... [Pg.270]

There are two classes of solids that are not crystalline, that is, p(r) is not periodic. The more familiar one is a glass, for which there are again two models, which may be called the random network and tlie random packing of hard spheres. An example of the first is silica glass or fiised quartz. It consists of tetrahedral SiO groups that are linked at their vertices by Si-O-Si bonds, but, unlike the various crystalline phases of Si02, there is no systematic relation between... [Pg.1368]

It is somewhat difficult conceptually to explain the recoverable high elasticity of these materials in terms of flexible polymer chains cross-linked into an open network structure as commonly envisaged for conventionally vulcanised rubbers. It is probably better to consider the deformation behaviour on a macro, rather than molecular, scale. One such model would envisage a three-dimensional mesh of polypropylene with elastomeric domains embedded within. On application of a stress both the open network of the hard phase and the elastomeric domains will be capable of deformation. On release of the stress, the cross-linked rubbery domains will try to recover their original shape and hence result in recovery from deformation of the blended object. [Pg.303]

In view of the success of von Neumann s machine-based hydrodynamics in 1944, and at about the time when the fission bomb was ready, some scientists at Los Alamos were already thinking hard about the possible design of a fusion bomb. Von Neumann invited two of them, Nicholas Metropolis and Stanley Frankel, to try to model the immensely complicated issue of how jets from a fission device might initiate thermonuclear reactions in an adjacent body of deuterium. Metropolis linked... [Pg.465]

On the other hand, reservoirs are ecosystems strongly linked with the surrounding terrestrial ecosystems, and it is hardly useful to model them independently. [Pg.74]

So far, we have not introduced a specific model of the polymer network chains. This problem can be rigorously solved for cross-linked polymer networks consisting of phantom chains [13], or even in the more general case of filled networks where the chains interact, additionally, with spherical hard filler particles [15]. [Pg.610]

In chemical kinetics, one finds linked sets of differential equations expressing the rates of change of the interacting species. Overall, mathematical models have been exceedingly successfiil in depicting the broad outlines of an enormously diverse variety of phenomena in nature. Some scientists have even commented in surprise at how well mathematics works in describing nature. So successful have these mathematical models been that their use has spread from the hard sciences to areas as diverse as economics and the analysis of athletic performance [3]. [Pg.2]

It is difficult to use the model as a predictive model, since this would imply the knowledge of the chemical composition of the indoor atmosphere, as well as the formation rates of some relevant condensable products, which is hard to achieve. Linking... [Pg.340]

For liquids, even simple monatomic liquids such as molten metals, this link between molecular interactions and a bulk property such as viscosity is still there, in principle, but it is difficult to derive a relationship from fundamental interaction energies that is useful for a wide variety of systems. Nonetheless, theoretical expressions for liquid viscosities do exist. Some are based on statistical mechanical arguments, but the model that is most consistent with the discussion so far is that of nonattracting hard spheres... [Pg.288]

For each solution, the question will be asked "What is needed for realisation ". By this means, the necessary "hard" and "soft" pre-conditions will be determined (e.g. new partners, specialists, choice of business management, different company culture,. ..) In a further step, these pre-conditions defined are further described by a timeframe "When will it be possible " During discussion, tasks necessary to clarify pre-conditions will be continually noted. Wherever there are potential improvements described, which cannot be optimised in-house, links to new business models like Chemical Leasing are established. [Pg.32]

The results indicated that the ease with which a diluent could be removed from a network decreased with increase in Md and decrease in Mc, as expected. High molecular-weight diluents are extremely hard to remove at values of Mc of interest in the preparation of model elastomers [3, 18, 20, 157]. Estimating the extents of reaction in end-linking processes from sol fraction data could be complicated by this difficulty. [Pg.230]

More complex integrated PK/PD models are necessary to link and account for a possible temporal dissociation between the plasma concentration and the observed effect. Four basic attributes may be used to characterize PK/PD models First, the link between measured concentration and the pharmacological response mechanism that mediates the observed effect (direct versus indirect link) second, the response mechanism that mediates the observed effect (direct versus indirect response) third, the information used to establish the link between measured concentration and observed effect (hard versus soft link) and, fourth, the time dependency of the involved PD parameters (time variant versus time invariant) (Danhof et al., 1993 Steimer et al., 1993 Aarons, 1999 Lees et al., 2004). The expanded and early use of PK/PD modeling in drug discovery and development is highly beneficial for increasing the success rate of drug discovery and development and will most likely improve the current state of applied therapeutics. [Pg.101]


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See also in sourсe #XX -- [ Pg.40 ]




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