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Energy density, appropriate

The neglect of electron-electron interactions in the Extended Hiickel model has several consequences. For example, the atomic orbital binding energies are fixed and do not depend on charge density. With the more accurate NDO semi-empirical treatments, these energies are appropriately sensitive to the surrounding molecular environment. [Pg.126]

The mixture cohesive energy density, coh-m> was not to be obtained from some mixture equation of state but rather from the pure-component cohesive energy densities via appropriate mixing rules. Scatchard and Hildebrand chose a quadratic expression in volume fractions (rather than the usual mole fractions) for coh-m arid used the traditional geometric mean mixing rule for the cross constant ... [Pg.50]

Figure 2. Schematic representation of the four conceptually different paths (the heavy lines) one may utilize to attack the phase-coexistence problem. Each figure depicts a configuration space spanned by two macroscopic properties (such as energy, density. ..) the contours link macrostates of equal probability, for some given conditions c (such as temperature, pressure. ..). The two mountaintops locate the equilibrium macro states associated with the two competing phases, under these conditions. They are separated by a probability ravine (free-energy barrier). In case (a) the path comprises two disjoint sections confined to each of the two phases and terminating in appropriate reference macrostates. In (b) the path skirts the ravine. In (c) it passes through the ravine. In (d) it leaps the ravine. Figure 2. Schematic representation of the four conceptually different paths (the heavy lines) one may utilize to attack the phase-coexistence problem. Each figure depicts a configuration space spanned by two macroscopic properties (such as energy, density. ..) the contours link macrostates of equal probability, for some given conditions c (such as temperature, pressure. ..). The two mountaintops locate the equilibrium macro states associated with the two competing phases, under these conditions. They are separated by a probability ravine (free-energy barrier). In case (a) the path comprises two disjoint sections confined to each of the two phases and terminating in appropriate reference macrostates. In (b) the path skirts the ravine. In (c) it passes through the ravine. In (d) it leaps the ravine.
The volatility, viscosity, diffusion coefficient and relaxation rates of solvents are closely connected with the self-association of the solvents, described quantitatively by their structuredness. This property has several aspects that can be denoted by appropriate epithets (Bennetto and Caldin 1971). One of them is stiffness expressible by the internal pressure, the cohesive energy density, the square of the solubility parameter, see Chapter 3, or the difference between these two. Another aspect is openness expressible by the compressibility or the fluidity, the reciprocal of the viscosity, of the solvent (see Chapter 3). A further... [Pg.218]

In the following we outline the method of Ref. [18] which attempts to retain the simplicity of the PB theory but also accommodates correlation effects within a local density approximation (LDA) where all the relevant interactions are included at the level of the free energy density. One starts out with the free energy density of the PB approach and adds an appropriate correlational correction to the mean-field free energy density. One attempt at the level of the Debye-Hiickel theory (DH) is called DH plus Hole (DHH)... [Pg.71]

In radiation problems, It Is the available energy flux which Is of concern, not the available energy density. This means that directional characteristics become more Important and the steady flow available energy, b = h - T0s Is the more appropriate measure of thermodynamic work. [Pg.401]

Pulsed laser deposition (PLD) [1-3] uses high-power laser pulses with an energy density of more than 108 W cm 2 to melt, evaporate, excite, and ionize material from a single target. This laser ablation produces a transient, highly luminous plasma plume that expands rapidly away from the target surface. The ablated material is collected on an appropriately placed substrate surface upon which it condenses and a thin film nucleates and grows. [Pg.303]

The use of low-calorie fat replacers in foods facilitates reductions in the energy density of the diet. However, since fat confers a number of important quality attributes, it is critical that such foods be highly palatable. When all or part of the fat is replaced, the foods must have comparable rheological and sensory-quality attributes to the original high-fat food. Textural properties are particularly important since fat has a pronounced impact on texture, mouthfeel, and hence eating quality. Therefore, in addition to lowering the calorie density, an acceptable fat substitute must have the appropriate functional properties, such as heat stability, emulsification, aeration, lubricity, spreadability, texture, and mouthfeel (Lukacova and Karovicova, 2003 Silva, 1996). [Pg.68]

In Eqs. (6.2.8) and (6.2.9) JQ was identified as a heat flux vector, yet this quantity corresponds to e, the internal energy density. Consult Sections 1.8 and 1.16 and explain again why this particular designation is appropriate. [Pg.545]

It is appropriate to end this section with the reminder that fuel cells are still the best source of electrical energy for mobile applications and that they have inherently the highest energy density of all batteries, which approaches asymptotically the energy density of the fuel itself and its container. The high efficiency, particularly when... [Pg.562]

Rechargeable batteries (r.b.s) contain an appropriate combination of reversible negative and positive electrodes. The energy density is given by Eq. (62) ... [Pg.373]

The determination of the phase diagram and of the critical point by analytical theories usually requires the calculation of the excess part of the reduced free energy density (I,ex, which is then supplemented by an appropriately chosen hard-core contribution. For any temperature the spinodal is defined by the stability condition (<92critical point. The coexistence curve can be obtained from the expansion of the free energy density about the critical point and solving for p at a given temperature. Alternatively, one can exploit the... [Pg.156]


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See also in sourсe #XX -- [ Pg.255 , Pg.256 ]




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