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Diffusion equation space-fractional

In all considered above models, the equilibrium morphology is chosen from the set of possible candidates, which makes these approaches unsuitable for discovery of new unknown structures. However, the SCFT equation can be solved in the real space without any assumptions about the phase symmetry [130], The box under the periodic boundary conditions in considered. The initial quest for uy(r) is produced by a random number generator. Equations (42)-(44) are used to produce density distributions T(r) and pressure field ,(r). The diffusion equations are numerically integrated to obtain q and for 0 < s < 1. The right-hand size of Eq. (47) is evaluated to obtain new density profiles. The volume fractions at the next iterations are obtained by a linear mixing of new and old solutions. The iterations are performed repeatedly until the free-energy change... [Pg.174]

We shall now demonstrate how the CTRW in the diffusion limit may be used to justify the fractional diffusion equation. We consider an assembly of permanent dipoles constrained to rotate about a fixed axis (the dipole is specified by the angular coordinate unit circle with fixed angular spacing A. We note that A may not necessarily be fixed for example, if we have a Gaussian distribution of jumps, the standard deviation of A serves as a fixed quantity. A typical dipole may remain in a fixed orientation at a given site for an arbitrary long waiting time. It may then reorient to another discrete orientation site. This is the discrete orientation model. [Pg.300]

In the fixed axis rotation model of dielectric relaxation of polar molecules a typical member of the assembly is a rigid dipole of moment p rotating about a fixed axis through its center. The dipole is specified by the angular coordinate < ) (the azimuth) so that it constitutes a system of 1 (rotational) degree of freedom. The fractional diffusion equation for the time evolution of the probability density function W(4>, t) in configuration space is given by Eq. (52) which we write here as... [Pg.306]

We remark that all the results of this section are obtained by using the B ark ai-Si I bey [30] fractional form of the Klein-Kramers equation for the evolution of the probability distribution function in phase space. In that equation, the fractional derivative, or memory term, acts only on the right-hand side—that is, on the diffusion or dissipative term. Thus, the form of the Liouville operator, or convective derivative, is preserved [cf. the right-hand side... [Pg.394]

A convenient way to formulate a dynamical equation for a Levy flight in an external potential is the space-fractional Fokker-Planck equation. Let us quickly review how this is established from the continuous time random walk. We will see below, how that equation also emerges from the alternative Langevin picture with Levy stable noise. Consider a homogeneous diffusion process, obeying relation (16). In the limit k — 0 and u > 0, we have X(k) 1 — CTa fe and /(w) 1 — uz, whence [52-55]... [Pg.447]

From the differentiation theorem of Laplace transform, J f /(t) = uP u) —P t = 0), we infer that the left-hand side in (x,t) space corresponds to 0P(x, t)/dt, with initial condition P(x. 0) = 8(x). Similarly in the Gaussian limit a = 2, the right-hand side is Dd2P(x, f)/0x2, so that we recover the standard diffusion equation. For general a, the right-hand side defines a fractional differential operator in the Riesz-Weyl sense (see below) and we find the fractional diffusion equation [52-56]... [Pg.447]

The rate of diffusion of molecules through intact tissues in an animal is difficult to measure, so the amount of information currently available is limited. Diffusion coefficients for size-fractionated dextrans, albumin, and antibodies have been measured in granulation tissue and tumor tissue [20, 21] similar measurements have been made in slices of brain tissue [87]. In both cases, the diffusion coefficient was estimated by fitting solutions to the diffusion equation, similar to Equation 3-36, to data obtained by direct visualization of fluorescent tracers in the interstitial space. These measurements, as well as others made by a variety of techniques, are compiled in... [Pg.76]

The generalized reaction-diffusion equation (2.82) can be written in a form using fractional derivatives for subdiffusive transport, where the waiting PDF of species i is given in Laplace space by (2.52), (i) 1 —. In that case... [Pg.52]

This exponent corresponds to a symmetric a-stable Levy process 8 (0, a Levy flight, which is self-similar with Hurst exponent H = Xja. It follows from (3.89) that the mesoscopic density of particles is the solution to the space-fractional diffusion equation [371] ... [Pg.73]

Further details on the Cauchy problem for the time-space fractional diffusion equation (3.214) and its extension for the asymmetric case can be found in [371, 260]. [Pg.98]

Mainardi, R, Luchko, Y, Pagnini, G. The fundamental solution of the space-time fractional diffusion equation. Fract. Calc. Appl. Anal. 4(2), 153-192 (2001). http //pamina.bo. infn.it/people web pages/mainardi/dounload/lumapa.pdf... [Pg.436]

Wang H, Du N (2014) Fast alternating-direction finite difference methods for three-dimensional space-fractional diffusion equations. J Comput Phys 258 305-318... [Pg.324]

Do we expect this model to be accurate for a dynamics dictated by Tsallis statistics A jump diffusion process that randomly samples the equilibrium canonical Tsallis distribution has been shown to lead to anomalous diffusion and Levy flights in the 5/3 < q < 3 regime. [3] Due to the delocalized nature of the equilibrium distributions, we might find that the microstates of our master equation are not well defined. Even at low temperatures, it may be difficult to identify distinct microstates of the system. The same delocalization can lead to large transition probabilities for states that are not adjacent ill configuration space. This would be a violation of the assumptions of the transition state theory - that once the system crosses the transition state from the reactant microstate it will be deactivated and equilibrated in the product state. Concerted transitions between spatially far-separated states may be common. This would lead to a highly connected master equation where each state is connected to a significant fraction of all other microstates of the system. [9, 10]... [Pg.211]

A gas phase reaction has a zero order rate equation in the concentration range of interest. Given the additional data following, find the space velocity, cuft of feed/(hr)(cuft of catalyst bed), needed for 95% conversion. C0 = 0.005 lbmol/cuft, inlet concentration k = 5 lbmol/(hr)(cuft of catalyst), specific rate D = 0.1 ft2/hr, diffusivity c = 0.40, fractional free volume... [Pg.779]

Summing up, the two-phase model is physically consistent and may be applied for designing industrial systems, as demonstrated in recent studies [10, 11], Modeling the diffusion-controlled reactions in the polymer-rich phase becomes the most critical issue. The use of free-volume theory proposed by Xie et al. [6] has found a large consensus. We recall that the free volume designates the fraction of the free space between the molecules available for diffusion. Expressions of the rate constants for the initiation efficiency, dissociation and propagation are presented in Table 13.3, together with the equations of the free-volume model. [Pg.374]

Rieckmann and Keil (1997) introduced a model of a 3D network of interconnected cylindrical pores with predefined distribution of pore radii and connectivity and with a volume fraction of pores equal to the porosity. The pore size distribution can be estimated from experimental characteristics obtained, e.g., from nitrogen sorption or mercury porosimetry measurements. Local heterogeneities, e.g., spatial variation in the mean pore size, or the non-uniform distribution of catalytic active centers may be taken into account in pore-network models. In each individual pore of a cylindrical or general shape, the spatially ID reaction-transport model is formulated, and the continuity equations are formulated at the nodes (i.e., connections of cylindrical capillaries) of the pore space. The transport in each individual pore is governed by the Max-well-Stefan multicomponent diffusion and convection model. Any common type of reaction kinetics taking place at the pore wall can be implemented. [Pg.174]

In one important respect, this derivation is not quite complete. Just as there are two ways in which the encounter complex A -B can be formed, so there are two ways in which it can react. Because the average reaction time is comparable to the time taken for the steady state to be set up, only a certain fraction w of the excited molecules will obey the Stem-Volmer equation. The remaining (1 —h ) reacts immediately after excitation and so does not contribute to the relative fluorescence yield. Put another way, if a molecule of A has a B within the reaction distance when it is excited, it may react immediately and so will not fluoresce. As may be predicted, the effect of this transient excess reactivity is more important the harder it is for A and B to diffuse apart, i.e., the greater the viscosity of the medium, and the more efficient is the reaction. Thus < >/( >o = W(1+ 2< b < o)> the stationary rate coefficient may be evaluated if w is known. The latter can be calculated from the expression w = exp(— VoCj,), where is a characteristic reaction volume surrounding A and w represents the probability that no B molecule will be found inside this space. Vjy is a function of the diffusion coefficients of A and B, the mean lifetime of A in the absence of B(xo) and the effective encounter distance. In most cases approximate values of w can be calculated and then, by successive approximations, the stationary rate coefficients and encounter distances which best lit the data are computed. [Pg.154]


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