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Numerical modelling boundary conditions

R), i.e. there is no effect due to caging of the encounter complex in the common solvation shell. There exist numerous modifications and extensions of this basic theory that not only involve different initial and boundary conditions, but also the inclusion of microscopic structural aspects [31]. Among these are hydrodynamic repulsion at short distances that may be modelled, for example, by a distance-dependent diffiision coefficient... [Pg.844]

Simila.rityAna.Iysis, Similarity analysis starts from the equation describing a system and proceeds by expressing all of the dimensional variables and boundary conditions in the equation in reduced or normalized form. Velocities, for example, are expressed in terms of some reference velocity in the system, eg, the average velocity. When the equation is rewritten in this manner certain dimensionless groupings of the reference variables appear as coefficients, and the dimensional variables are replaced by their normalized relatives. If another physical system can be described by the same equation with the same numerical values of the coefficients, then the solutions to the two equations (normalized variables) are identical and either system is an accurate model of the other. [Pg.106]

Numerical simulation of hood performance is complex, and results depend on hood design, flow restriction by surrounding surfaces, source strength, and other boundary conditions. Thus, most currently used method.s of hood design are based on experimental studies and analytical models. According to these models, the exhaust airflow rate is calculated based on the desired capture velocity at a particular location in front of the hood. It is easier... [Pg.544]

Bakke, J. R., and B. H. Hjertager. 1986a. Quasi-laminar/turbulent combustion modeling, real cloud generation and boundary conditions in the FLACS-ICE code. CMI No. 865402-2. Chr. Michelsen Institute, 1986. Also in Bakke s Ph.D. thesis Numerical simulation of gas explosions in two-dimensional geometries. University of Bergen, Bergen, 1986. [Pg.381]

This approach is useful when dealing with relatively simple partial differential equation models. Seinfeld and Lapidus (1974) have provided a couple of numerical examples for the estimation of a single parameter by the steepest descent algorithm for systems described by one or two simultaneous PDEs with simple boundary conditions. [Pg.172]

The solution of Eqs. (9) is straightforward if the six parameters are known and the boundary conditions are specified. Two boundary conditions are necessary for each equation. Pavlica and Olson (PI) have discussed the applicability of the Wehner-Wilhelm boundary conditions (W3) to two-phase mass-transfer model equations, and have described a numerical method for solving these equations. In many cases this is not necessary, for the second-order differentials can be neglected. Methods for evaluating the dimensionless groups in Eqs. (9) are given in Section II,B,1. [Pg.24]

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]

Besides the resuspension of particles, the perfect sink model also neglects the effect of deposited particles on incoming particles. To overcome these limitations, recent models [72, 97-99] assume that particles accumulate within a thin adsorption layer adjacent to the collector surface, and replace the perfect sink conditions with the boundary condition that particles cannot penetrate the collector. General continuity equations are formulated both for the mobile phase and for the immobilized particles in which the immobilization reaction term is decomposed in an accumulation and a removal term, respectively. Through such equations, one can keep track of the particles which arrive at the primary minimum distance and account for their normal and tangential motion. These equations were solved both approximately, and by numerical integration of the governing non-stationary transport equations. [Pg.211]

In dealing with the SGS terms, Revstedt et al. (1998, 2000) and Revstedt and Fuchs (2002) did not use any model rather, they assumed these terms were just as small as the truncation errors in the numerical computations. This heuristic approach lacks physics and does not deserve copying. A most welcome aspect of LES is that the SGS stresses may be conceived as being isotropic, i.e., insensitive to effects of the larger scales, to the way the turbulence is induced and to the complex and varying boundary conditions of the flow domain. Exactly this... [Pg.161]


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