Comparison between theoretical and

Two- and three-layered special cross-ply laminates were shown to have extrema of behavior in the preceding section. Thus, comparisons between theoretical and measured stiffnesses for such laminates should... 

The author concerns himself with a comparison between theoretical and experimental studies of simple molecules containing the C = N linkage. A large number of spectroscopic studies have been made for XCN molecules, and in the majority of cases many isotopic species have been studied. The experimental data is very accurate. An interesting feature of such molecules is that the C s N distances are equal to within experimental error, and one might expect that the quadrupole coupling constants would be similar. This is not the case, as shown in Table 16.4. 

Geometries, hyperfme structure, and relative stabilities of the different positional isomers of monodeuterated benzene cations have been studied theoretically by density functional theory, using the B3-LYP functional, and experimentally by ESR and ENDOR spectroscopy. A comparison between theoretical and experimental results at 30 K gives acceptable agreement, but further experiments on multiply deuterated species should improve the analysis by making the effects of deuteration larger. 

Fig. 97.—Comparison between theoretical and experimental stress-strain curves for vulcanized rubber for elongations =0.40 to 2.0. Points are experimental data those for a <1 were obtained by inflating a rubber sheet. (Treloar. )...

Figure 10.14. Comparison between theoretical and experimental XRD patterns recorded on prereduced Pt/CoOx/La203 (a) and after ageing in the reaction conditions (b) Theoretical XRD patterns of LajOj is reported in Figure 10.14a and of La(OH)3 on aged catalyst in Figure 10.14b.

Fig. 6 Comparison between theoretical and experimental toxicity values against each of the three tested organisms for all water samples...

Figure 2.14 Comparison between theoretical and experimental (i = 0.025 V/s) voltammetric peak potential for electrolyte solutions of different pH (prepared from 1 mM NaOH and HNO3 solutions containing 4 mM NaN03). Two different sets of experimental data are presented. Taken from Ref [119].

B. 3.4. A comparison between theoretical and practical conversion systems.55... 

As with the flow regimes in fluid dynamic theory, that is, the stagnation, laminar flow and turbulent flow, it is obvious that a solid phase can exhibit the corresponding flow pattern regimes, which herein are referred to as fixed, moving and mixed, respectively. The terms fixed, moving and mixed are defined as the relative motion of the particle phase with respect to a fixed coordinate system (see Figure 26). Examples of commercial PBC systems with different fuel-bed movement are found in section B.3.4. A comparison between theoretical and practical conversion systems. 

Another objective of this survey has been to merge the academic basic research and the commercial applications. Section B.3.4. A comparison between theoretical and practical conversion systems is an example of this, where the classification of concepts is applied to real combustion systems. This is in line with Tillman [23] who pointed out the lack of literature in the field of solid fuel combustion, which combine the fundamental research and real combustion systems. 

In addition to offering a comparison between theoretical and experimental values, Table 8.2 also indicates that there may be a significant difference between the 0 values that have been independently obtained by the deconvolution of Cp measurements and from magnetic measurements. There is also a significant spread between the 0 values obtained by using different methods to extract the magnetic... 

Fig. 9 Temperature dependence of 5iso for the NMR peaks in squaric acid in the close vicinity of the phase transition temperature left panel). Note that the change starts as a smooth curve, followed by a jump caused by the first-order character of the phase transition. This is considered evidence for the coexistence of an order/disorder and displacive character in the phase transition mechanism [20]. The right panel gives a comparison between theoretical and experimental data. For details, see text...

The comparison between theoretical and experimental results presented here for acyclic alkanes is made with the help of Eq. (10.50), repeated here for convenience (kcal/mol) ... 

Gai. jMn.jAs. Furthermore, the scaling theory of electronic states near the MIT, discussed in the previous sections, makes it possible to explain the presence of the ferromagnetism on the both sides of the MIT, and a non-critical evolution of 7fc across the critical point (Matsukura et al. 1998b). A comparison between theoretical and experimental data in a wider range of Mn and hole concentrations requires reliable information on the hole density in particular samples, which is not presently available. In appears, however, that in the case of both Gai-jjMnjAs and Im jMnjAs on the insulator side of the MIT, the experimental values of Tc are systematically higher than those expected from the Zener model. 

The non-reversible behavior is plotted in Fig. 7.46, which corresponds to the corrected (Jcv/v) — E curves (dashed lines) and the (QDSCVC/AE) — E ones (symbols) of the system 4-PhenylazoPhenol. From these curves, it can be seen that although the DSCVC curves are perfectly superimposable, the CV ones clearly show smaller peak heights in both scans. This systematic decrease of the CV signals, which cannot be theoretically predicted, is 5-10 %, and it has been reported when the response of electro-active monolayers in CV has been compared with other voltammetric and chronopotentiometric electrochemical techniques [71, 72], Due to the quasi-reversible nature of the charge transfer reduction of the 4-PhenylazoPhenol, no simple equations for the peak parameters are available. So, a numerical comparison between theoretical and experimental curves for different sets of parameters should be made in order to obtain the kinetic and thermodynamic parameters of the system. 

Once these values are known, the kinetic parameters a and ° can be obtained from the comparison between theoretical and experimental curves. 

Figure 1. Changes in copolymer composition (PMMA/PMAA ratio) during batch polymerization of MMA-MAA copolymer system comparison between theoretical and experimental values ((O) experimental point (1) = 0.60, r2 = 1.50 (2)...

The Results of C nmr Comparison Between Theoretical and Experimental Peak Fractions... 

The frequency contribution from a CS tensor also depends on the molecular orientation with respect to the external magnetic field. As illustrated in Figure 3(A), the principal axis system for a CS tensor is defined with the direction of the magnetic field in this text. A liquid sample of H20 is generally used for chemical shift referencing (set to be 0 ppm). Similar to the case of an 170 EFG tensor, a quantum chemical approach is useful for the spectral analysis. Since quantum chemical calculations yield the CS, o, the following conversion is required for making a direct comparison between theoretical and experimental values ... 

Comparisons Between Theoretical and Experimental XPS Valence Spectra... 

Figure 32. Comparison between theoretical and experimental extrudate swell.(o) GOB model ( ) PTT model (0,CD) Wagner model.

Cheng (C5) studied the relation of the drying rate to drying conditions (balsa wood slabs were used for experiment). His data were utilized to show (Fig. 8) the effect of air velocity on the drying rate, and also to show the comparison between theoretical and experimental curves. Data from 15 runs were taken for comparison, but to avoid overcrowding of the curves, only three of these are shown. The value of the critical moisture content used was the same as determined by Kauh. Heat- and mass-transfer... 

Fig. 4. Comparison between theoretical and experimenul values of li (a) calculated from converrion versus time curve and the number of polymer particles. (Reprinted with pennission of Jmmial of Applied Polymer Science.)...

Numerical evaluation of the Kassel integral permitted a comparison between theoretical and experimental fall-off behaviour . With an average molecular diameter of 5.5 A the calculated rate coefficient-azoethane pressure curve showed the best agreement with experiment at an effective number of oscillators of 18, somewhat less than half of the maximum 2N— 6. Because of the complexity of the reaction the experimental curve is probably in error, rendering comparison unreliable. Similar calculations for azomethane using the earlier uninhibited kinetic data showed best agreement with experiments at a molecular diameter of 4.7 A and an effective number of oscillators of 12, one half of the total normal modes of vibrations. 

In Ref. 4 comparisons between theoretical and experimental molar rotations of a large number of cyclopropanes are presented. In the following subsections an arbitrary selection from these results will be presented. The predictions of optical rotations simultaneously provide determinations of absolute configurations. 

Fig.7 Comparison between theoretical and experimental XPS for SrTiO. PIC means theoretical spectrum with photoionization cross section...

Since 8 a bi) = AE B — 8 X S0) and the vibrational contributions 8 a 30) may eva uate( theoretically and sometimes experimentally, a comparison between theoretically and experimentally determined stabilities of two tautomers may be made by comparing the (exp)8 AKBq) and... 

For single-component systems, the theoretical solutions obtained are easy to compare to experimental profiles. They differ only by the smoothing effect due to axial dispersion and to the finite kinetics of mass transfers in actual columns. In many cases, because of the qualities of the stationary phases currently available, these effects appear to be secondary compared to the major role of thermodynamics in controlling the band proffles in overloaded elution. Admittedly, the influence of the finite coliunn efficiency on the band profiles prevents a successful quantitative comparison between theoretical and experimental band profiles. However, these profiles are similar enough at high concentrations and the solutions of the ideal model indicate which are the trends to be expected. 

Before continuing the analysis of pore size dependence, a remark must be made on the comparison between theoretical and measured data as done... 

These expressions allow the comparison between theoretical and experimental results, as well as the determination of the relative strength of the electronic contti-bution to 7epish-... 

Thus MO calculations have, to date, allowed qualitative comparisons between theoretical and experimental data and have been used to predict the nature of the frontier orbitals. 

Table 19-3. Comparison between theoretical and experimental wavenumbers/cm of d-d transitions of...

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