Numerical solution effect

The deconvolution is the numerical solution of this convolution integral. The theory of the inverse problem that we exposed in the previous paragraph shows an idealistic character because it doesn t integrate the frequency restrictions introduced by the electro-acoustic set-up and the mechanical system. To attenuate the effect of filtering, we must deconvolve the emitted signal and received signal. 

The heat-of-solution effects can be included by adding qJCQ to both the numerator and the denominator of the left side. 

A numerical solution of this equation for a constant surface concentration (infinite fluid volume) is given by Garg and Ruthven [Chem. Eng. ScL, 27, 417 (1972)]. The solution depends on the value of A. = n i — n )/ n — n ). Because of the effect of adsorbate concentration on the effective diffusivity, for large concentration steps adsorption is faster than desorption, while for small concentration steps, when D, can be taken to he essentially constant, adsorption and desorption curves are mirror images of each other as predicted by Eq. (16-96) see Ruthven, gen. refs., p. 175. 

Numerical solution of Eq. (51) was carried out for a nonlocal effective Hamiltonian as well as for the approximated local Hamiltonian obtained by applying a gradient expansion. It was demonstrated that the nonlocal effective Hamiltonian represents quite well the lateral variation of the film density distribution. The results obtained showed also that the film behavior on the inhomogeneous substrate depends crucially on the temperature regime. Note that the film exhibits different wetting temperatures on both parts of the surface. For chemical potential below the bulk coexistence value the film thickness on both parts of the surface tends to appropriate assymptotic values at x cx) and obeys the power law x. Such a behavior of the film thickness is a consequence of van der Waals tails. The above result is valid when both parts of the surface exhibit either continuous (critical) or first-order wetting. 

As mentioned above, the numerical solution of exact equations breaks down for low flame speeds, where the strength of the leading shock approaches zero. To complete the entire range of flame speeds, Kuhl et al. (1973) suggested using the acoustic solutions by Taylor (1946) as presented earlier in this section. Taylor (1946) already noted that his acoustic approach is not fully compatible with the exact solution, in the sense that they do not shade into one another smoothly. In particular, the near-piston and the near-shock areas in the flow field, where nonlinear effects play a part, are poorly described by acoustic methods. In addition to these imperfections, the numerical character of Kuhl etal. (1973) method inspired various authors to design approximate solutions. These solutions are briefly reviewed. 

If a variable is included which does not exert a significant influence on the problem, the value of the dimensionless group in which it appears will have little effect on the final numerical solution of the problem, and therefore the exponent of that group must approach zero. This presupposes that the dimensionless groups are so constituted that the variable in... 

These boundary conditions are not in agreement with experiments for which the new effects were assumed. As a result, some researchers concluded that conventional Navier-Stokes and energy equations are not valid, and that only new effects can explain the experimental data. The numerical solutions based on the Navier-Stokes and energy equations with the proper boundary conditions demonstrate a fairly good agreement with available experimental data. The results can be generalized as follows ... 

The quasi-one-dimensional model of flow in a heated micro-channel makes it possible to describe the fundamental features of two-phase capillary flow due to the heating and evaporation of the liquid. The approach developed allows one to estimate the effects of capillary, inertia, frictional and gravity forces on the shape of the interface surface, as well as the on velocity and temperature distributions. The results of the numerical solution of the system of one-dimensional mass, momentum, and energy conservation equations, and a detailed analysis of the hydrodynamic and thermal characteristic of the flow in heated capillary with evaporative interface surface have been carried out. 

Many theoretical embellishments have been made to the basic model of pore diffusion as presented here. Effectiveness factors have been derived for reaction orders other than first and for Hougen and Watson kinetics. These require a numerical solution of Equation (10.3). Shape and tortuosity factors have been introduced to treat pores that have geometries other than the idealized cylinders considered here. The Knudsen diffusivity or a combination of Knudsen and bulk diffusivities has been used for very small pores. While these studies have theoretical importance and may help explain some observations, they are not yet developed well enough for predictive use. Our knowledge of the internal structure of a porous catalyst is still rather rudimentary and imposes a basic limitation on theoretical predictions. We will give a brief account of Knudsen diffusion. 

Figure 16. The effective frequency 0(x) for two transversal excitations in HO2. Solid line shows the results of numerical solution of Eqs. (79) and (80). Dotted line represents the frequency in the adiabatic approximation, y = 1[3] corresponds to the mode (0,0,1) [(1,0,0)] (see Fig. 14). Taken from Ref. [32].

Another kind of situation arises when it is necessary to take into account the long-range effects. Here, as a rule, attempts to obtain analytical results have not met with success. Unlike the case of the ideal model the equations for statistical moments of distribution of polymers for size and composition as well as for the fractions of the fragments of macromolecules turn out normally to be unclosed. Consequently, to determine the above statistical characteristics, the necessity arises for a numerical solution to the material balance equations for the concentration of molecules with a fixed number of monomeric units and reactive centers. The difficulties in solving the infinite set of ordinary differential equations emerging here can be obviated by switching from discrete variables, characterizing macromolecule size and composition, to continuous ones. In this case the mathematical problem may be reduced to the solution of one or several partial differential equations. 

Our analysis is based on solution of the quantum Liouville equation in occupation space. We use a combination of time-dependent and time-independent analytical approaches to gain qualitative insight into the effect of a dissipative environment on the information content of 8(E), complemented by numerical solution to go beyond the range of validity of the analytical theory. Most of the results of Section VC1 are based on a perturbative analytical approach formulated in the energy domain. Section VC2 utilizes a combination of analytical perturbative and numerical nonperturbative time-domain methods, based on propagation of the system density matrix. Details of our formalism are provided in Refs. 47 and 48 and are not reproduced here. 

Because the more complicated model that required numerical solution still neglected important effects, we chose to use a simple analytical model for convenience. We chose Oddson s because its major features had been verified by Huggenberger (15, 16) for lindane, one of the compounds in our study. Oddson included the kinetics of adsorption by assuming that the rate of adsorption is proportional to the difference between the amount that has already adsorbed and the equilibrium value ... 

Exact analytical solutions of the coupled equations for simultaneous mass transfer, heat transfer, and chemical reaction cannot be obtained. However, various authors have employed linear approximations (56-57), perturbation techniques (58), or asymptotic approaches (59) to obtain approximate analytical solutions to these equations. Numerical solutions have also been obtained (60-61). Once the solution for the concentration profile has been determined, equation 12.3.98 may be used to determine the temperature profile. The effectiveness factor may also be determined from the concentration profile, using the approach we have... 

The reactor feed mixture was "prepared so as to contain less than 17% ethylene (remainder hydrogen) so that the change in total moles within the catalyst pore structure would be small. This reduced the variation in total pressure and its effect on the reaction rate, so as to permit comparison of experiment results with theoretical predictions [e.g., those of Weisz and Hicks (61)]. Since the numerical solutions to the nonisothermal catalyst problem also presumed first-order kinetics, they determined the Thiele modulus by forcing the observed rate to fit this form even though they recognized that a Hougen-Watson type rate expression would have been more appropriate. Hence their Thiele modulus was defined as... 

Burns and Curtiss (1972) and Burns et al. (1984) have used the Facsimile program developed at AERE, Harwell to obtain a numerical solution of simultaneous partial differential equations of diffusion kinetics (see Eq. 7.1). In this procedure, the changes in the number of reactant species in concentric shells (spherical or cylindrical) by diffusion and reaction are calculated by a march of steps method. A very similar procedure has been adopted by Pimblott and La Verne (1990 La Verne and Pimblott, 1991). Later, Pimblott et al. (1996) analyzed carefully the relationship between the electron scavenging yield and the time dependence of eh yield through the Laplace transform, an idea first suggested by Balkas et al. (1970). These authors corrected for the artifactual effects of the experiments on eh decay and took into account the more recent data of Chernovitz and Jonah (1988). Their analysis raises the yield of eh at 100 ps to 4.8, in conformity with the value of Sumiyoshi et al. (1985). They also conclude that the time dependence of the eh yield and the yield of electron scavenging conform to each other through Laplace transform, but that neither is predicted correctly by the diffusion-kinetic model of water radiolysis. 

Since Aa> is proportional to the magnetic field, higher fields allow for exploiting faster exchanges which consequently leads to a more important CEST effect. More detailed explanation of the CEST theory (52,159) and numerical solution of the Bloch equations describing the CEST effect (160) can be found in the literature. 

Photosensitization of diaryliodonium salts by anthracene occurs by a photoredox reaction in which an electron is transferred from an excited singlet or triplet state of the anthracene to the diaryliodonium initiator.13"15,17 The lifetimes of the anthracene singlet and triplet states are on the order of nanoseconds and microseconds respectively, and the bimolecular electron transfer reactions between the anthracene and the initiator are limited by the rate of diffusion of reactants, which in turn depends upon the system viscosity. In this contribution, we have studied the effects of viscosity on the rate of the photosensitization reaction of diaryliodonium salts by anthracene. Using steady-state fluorescence spectroscopy, we have characterized the photosensitization rate in propanol/glycerol solutions of varying viscosities. The results were analyzed using numerical solutions of the photophysical kinetic equations in conjunction with the mathematical relationships provided by the Smoluchowski16 theory for the rate constants of the diffusion-controlled bimolecular reactions. 

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