Quantitative Descriptive

For the objective and quantitative description of dynamic events of the casting part during... 

Ladder diagrams are a useful tool for evaluating chemical reactivity, usually providing a reasonable approximation of a chemical system s composition at equilibrium. When we need a more exact quantitative description of the equilibrium condition, a ladder diagram may not be sufficient. In this case we can find an algebraic solution. Perhaps you recall solving equilibrium problems in your earlier coursework in chemistry. In this section we will learn how to set up and solve equilibrium problems. We will start with a simple problem and work toward more complex ones. 

Flavor Description. TypicaHy, a sensory analyst determines if two samples differ, and attempts to explain their differences so that changes can be made. The Arthur D. Litde flavor profile (FP), quantitative descriptive analysis (QDA), and spectmm method are three of the most popular methods designed to answer these and more compHcated questions (30—33). AH three methods involve the training of people in the nominal scaling of the flavor quaHties present in the food being studied, but they differ in their method for quantitation. 

The starting point for obtaining quantitative descriptions of flow phenomena is Newton s second law, which states that the vector sum of forces acting on a body equals the rate of change of momentum of the body. This force balance can be made in many different ways. It may be appHed over a body of finite size or over each infinitesimal portion of the body. It may be utilized in a coordinate system moving with the body (the so-called Lagrangian viewpoint) or in a fixed coordinate system (the Eulerian viewpoint). Described herein is derivation of the equations of motion from the Eulerian viewpoint using the Cartesian coordinate system. The equations in other coordinate systems are described in standard references (1,2). 

Velocity The term kinematics refers to the quantitative description of fluid motion or deformation. The rate of deformation depends on the distribution of velocity within the fluid. Fluid velocity v is a vector quantity, with three cartesian components i , and v.. The velocity vector is a function of spatial position and time. A steady flow is one in which the velocity is independent of time, while in unsteady flow v varies with time. 

While the goal of the previous models is to carry out analytical calculations and gain insight into the physical picture, the multidimensional calculations are expected to give a quantitative description of concrete chemical systems. However at present we are just at the beginning of this process, and only a few examples of numerical multidimensional computations, mostly on rather idealized PES, have been performed so far. Nonetheless these pioneering studies have established a number of novel features of tunneling reactions, which do not show up in the effectively one-dimensional models. 

Since the susceptibilities can be extracted from the optical spectra of these active modes, a quantitative description based on dissipative tunneling techniques can be developed. Such a program should include the analysis of the motion of the reaction complex PES, with the dissipation of active modes taken into account. The advantage of this procedure is that it would allow one to confine the number of PES degrees of freedom to the relevant modes, and incorporate the environment phenomenologically. 

SECTION 1.8. OTHER QUANTITATIVE DESCRIPTIONS OF MOLECULAR STRUCTURE... 

Several methods of quantitative description of molecular structure based on the concepts of valence bond theory have been developed. These methods employ orbitals similar to localized valence bond orbitals, but permitting modest delocalization. These orbitals allow many fewer structures to be considered and remove the need for incorporating many ionic structures, in agreement with chemical intuition. To date, these methods have not been as widely applied in organic chemistry as MO calculations. They have, however, been successfully applied to fundamental structural issues. For example, successful quantitative treatments of the structure and energy of benzene and its heterocyclic analogs have been developed. It remains to be seen whether computations based on DFT and modem valence bond theory will come to rival the widely used MO programs in analysis and interpretation of stmcture and reactivity. 

It should be observed that, in the most general case, interpretation of the mechanical responses requires time-resolved wave-profile measurements. As shown in Eqs. (2.2) and (2.3), direct evaluation of the response requires quantitative description of derivatives of kinetic and kinematic variables. 

From the early work of Taylor [63T01] connecting dislocation behavior to observed viscoplastic shock-compression response, numerous studies have attempted to relate conventional dislocation dynamics models to experimental observations. Theory and observations consistently require unusually large numbers of mobile dislocations. Although qualitatively descriptive, progress to date on dislocation models has not proven to provide quantitative descriptions to the observations in metals. 

Since the interface behaves like a capacitor, Helmholtz described it as two rigid charged planes of opposite sign [2]. For a more quantitative description Gouy and Chapman introduced a model for the electrolyte at a microscopic level [2]. In the Gouy-Chapman approach the interfacial properties are related to ionic distributions at the interface, the solvent is a dielectric medium of dielectric constant e filling the solution half-space up to the perfect charged plane—the wall. The ionic solution is considered as formed... 

The quantitative description of enzyme kinetics has been developed in great detail by applying the steady-state approximation to all intermediate forms of the enzyme. Some of the kinetic schemes are extremely complex, and even with the aid of the steady-state treatment the algebraic manipulations are formidable. Kineticists have, therefore, developed ingenious schemes for writing down the steady-state rate equations directly from the kinetic scheme without carrying out the intermediate algebra." -" ... 

Concentration-time curves. Much of Sections 3.1 and 3.2 was devoted to mathematical techniques for describing or simulating concentration as a function of time. Experimental concentration-time curves for reactants, intermediates, and products can be compared with computed curves for reasonable kinetic schemes. Absolute concentrations are most useful, but even instrument responses (such as absorbances) are very helpful. One hopes to identify characteristic features such as the formation and decay of intermediates, approach to an equilibrium state, induction periods, an autocatalytic growth phase, or simple kinetic behavior of certain phases of the reaction. Recall, for example, that for a series first-order reaction scheme, the loss of the initial reactant is simple first-order. Approximations to simple behavior may suggest justifiable mathematical assumptions that can simplify the quantitative description. 

The evidence supporting the duality of mechanisms is of several kinds. The kinetic behavior is an obvious feature. This is somewhat more complex than is implied by the preceding treatment. A quantitative description of the SnI mechanism requires recognition of the reversibility of the ionization step, thus... 

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