Fractionation models balance equation

Figure 9. A schematic and ideal model showing how the residence time of the magma in a steady-state reservoir of constant mass M, replenished with an influx O of magma and thoroughly mixed, can be calculated from disequilibrium data, in the simplifying case where crystal fractionation is neglected (Pyle 1992). The mass balance equation describing the evolution through time of the concentration [N2] (number of atoms of the daughter nuclide per unit mass of magma) in the reservoir is ...

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 discussion of multiphase CFD models has thus far focused on describing the mass and momentum balances for each phase. In applications to chemical reactors, we will frequently need to include chemical species and enthalpy balances. As mentioned previously, the multifluid models do not resolve the interfaces between phases and models based on correlations will be needed to close the interphase mass- and heat-transfer terms. To keep the notation simple, we will consider only a two-phase gas-solid system with ag + as = 1. If we denote the mass fractions of Nsp chemical species in each phase by Yga and Ysa, respectively, we can write the species balance equations as... 

Bowers and Taylor (1985) were the first to incorporate isotope fractionation into a reaction model. They used a modified version of EQ3/EQ6 (Wolery, 1979) to study the convection of hydrothermal fluids through the oceanic crust, along midocean ridges. Their calculation method is based on evaluating mass balance equations, as described in this chapter. 

Lee and Bethke (1996) presented an alternative technique, also based on mass balance equations, in which the reaction modeler can segregate minerals from isotopic exchange. By segregating the minerals, the model traces the effects of the isotope fractionation that would result from dissolution and precipitation reactions alone. Not unexpectedly, segregated models differ broadly in their results from reaction models that assume isotopic equilibrium. 

Integrating isotope fractionation into the reaction path calculation is a matter of applying the mass balance equations while tracing over the course of the reaction path the system s total isotopic composition. Much of the effort in programming an isotope model consists of devising a careful accounting of the mass of each isotope. 

Thus, two mass balance equations are written in the lumped pore diffusion model for the two different fractions of the mobile phase, the one that percolates through the network of macropores between the particles of the packing material and the one that is stagnant inside the pores of the particles ... 

The MAM described here is a generalization of the model previously published (10). Hence, only a summary of the derivation will be given here. Details can be found elsewhere (17). The basic equations are the surfactant and counterion material balances and the minimization of the Gibbs free energy of the system with respect to the micelle concentration c , and mole fraction x (11). Equation 4 from Ref. (11) has been changed to... 

Three types of theoretical approaches can be used for modeling the gas-particles flows in the pneumatic dryers, namely Two-Fluid Theory [1], Eulerian-Granular [2] and the Discrete Element Method [3]. Traditionally the Two-Fluid Theory was used to model dilute phase flow. In this theory, the solid phase is being considering as a pseudo-fluid. It is assumed that both phases are occupying every point of the computational domain with its own volume fraction. Thus, macroscopic balance equations of mass, momentum and energy for both the gas and the solid... 

With such an understanding on system complexity in mind, the DBS model is composed of two simple force balance equations, respectively, for small or large bubble classes, and one mass conservation equation as well as the stability condition serving as a variational criterion and a closure for conservative equations. For a given operating condition of the global system, six structure parameters for small and large bubble classes (their respective diameters dg, dL, volume fraction... 

The hydrocracker simulator was also converted to subroutine form for inclusion in the nonlinear programming model of the Toledo process complex. The subroutine was considerably simplified, however, to save computer time and memory. The major differences are (1) the fractionation section is represented by correlations instead of by a multi-stage separation model, (2) high pressure flash calculations use fixed equilibrium K-values instead of re-evaluating them as a function of composition, and (3) the beds in each reactor are treated as one isothermal bed, eliminating the need for heat balance equations. 

To get the dynamic model of the movement of the front, the column is separated into two parts by cutting off below the thirtieth stage (Figure 6). It is assumed that the total amount of isopropanol leaves the liquid phase within the region of the temperature front. Furthermore, the vapour flow rates are supposed to be the same along the column Vk = V, k=l,...,K. It is to be emphasized that the mole fractions of isopropanol remain almost uneffected in the upper part. As a result the reflux R consists of pure isopropanol and hence the overall mass balance equations of the upper part are... 

Tne MESH Equations (the 2c + 3 Formulation) The equations that model equilibrium stages often are referred to as the MESH equations. The M equations are the material balance equations, E stands for equilibrium equations, S stands for mole fraction summation equations, and H refers to the heat or enthalpy balance equations. 

By combining thermodynamically-based monomer partitioning relationships for saturation [170] and partial swelling [172] with mass balance equations, Noel et al. [174] proposed a model for saturation and a model for partial swelling that could predict the mole fraction of a specific monomer i in the polymer particles. They showed that the batch emulsion copolymerization behavior predicted by the models presented in this article agreed adequately with experimental results for MA-VAc and MA-Inden (Ind) systems. Karlsson et al. [176] studied the monomer swelling kinetics at 80 °C in Interval III of the seeded emulsion polymerization of isoprene with carboxylated PSt latex particles as the seeds. The authors measured the variation of the isoprene sorption rate into the seed polymer particles with the volume fraction of polymer in the latex particles, and discussed the sorption process of isoprene into the seed polymer particles in Interval III in detail from a thermodynamic point of view. 

Delichatsios and Probstein (D4-7) have analyzed the processes of drop breakup and coagulation/coalescence in isotropic turbulent dispersions. Models were developed for breakup and coalescence rates based on turbulence theory as discussed in Section III and were formulated in terms of Eq. (107). They applied these results in an attempt to show that the increase of drop sizes with holdup fraction in agitated dispersions cannot be attributed entirely to turbulence dampening caused by the dispersed phase. These conclusions are determined after an approximate analysis of the population balance equation, assuming the size distribution is approximately Gaussian. 

It is encouraging that substantial progress has been made in analyzing the hydrodynamics of droplet interactions in dispersions from fundamental considerations. Effects of flow field, viscosity, holdup fraction, and interfacial surface tension are somewhat delineated. With appropriate models of coalescence and breakage functions coupled with the drop population balance equations, a priori prediction of dynamics and steady behavior of liquid-liquid dispersions should be possible. Presently, one universal model is not available. The droplet interaction processes (and... 

The design of a complete set of governing equations for the description of reactive flows requires that the combined fluxes are treated in a convenient way. In principle, several combined flux definitions are available. However, since the mass fluxes with respect to the mass average velocity are preferred when the equation of motion is included in the problem formulation, we apply the species mass balance equations to a (/-component gas system with q — independent mass fractions Wg and an equal number of independent diffusion fluxes js. However, any of the formulations derived for the multicomponent mass diffusion flux can be substituted into the species mass balance (1.39), hence a closure selection optimization is required considering the specified restrictions for each constitutive model and the computational efforts needed to solve the resulting set of model equations for the particular problem in question. 

Lehr and Mewes [67] included a model for a var3dng local bubble size in their 3D dynamic two-fluid calculations of bubble column flows performed by use of a commercial CFD code. A transport equation for the interfacial area density in bubbly flow was adopted from Millies and Mewes [82]. In deriving the simplified population balance equation it was assumed that a dynamic equilibrium between coalescence and breakage was reached, so that the relative volume fraction of large and small bubbles remain constant. The population balance was then integrated analytically in an approximate manner. 

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