Energy conservation model equations

The energy conservation model equations are written for the directions of flow shown in Fig. 16.4. To save on the equation processing, the case of loss and injection of fluid from/to the loops is not considered in detail. The situation as outlined for the mass conservation equation holds by direct analogy. Note that net loss, without replacement, of mass and energy from either loop can lead to situations for which the intended natural circulation will not be present. 

Dynamic meteorological models, much like air pollution models, strive to describe the physics and thermodynamics of atmospheric motions as accurately as is feasible. Besides being used in conjunction with air quaHty models, they ate also used for weather forecasting. Like air quaHty models, dynamic meteorological models solve a set of partial differential equations (also called primitive equations). This set of equations, which ate fundamental to the fluid mechanics of the atmosphere, ate referred to as the Navier-Stokes equations, and describe the conservation of mass and momentum. They ate combined with equations describing energy conservation and thermodynamics in a moving fluid (72) ... 

The formulation step may result in algebraic equations, difference equations, differential equations, integr equations, or combinations of these. In any event these mathematical models usually arise from statements of physical laws such as the laws of mass and energy conservation in the form. 

The model equations are determined by writing the balance equations based on the conservation of mass and energy. Tlie balance equations have the following basic form ... 

Computational fluid dynamics (CFD) is the numerical analysis of systems involving transport processes and solution by computer simulation. An early application of CFD (FLUENT) to predict flow within cooling crystallizers was made by Brown and Boysan (1987). Elementary equations that describe the conservation of mass, momentum and energy for fluid flow or heat transfer are solved for a number of sub regions of the flow field (Versteeg and Malalase-kera, 1995). Various commercial concerns provide ready-to-use CFD codes to perform this task and usually offer a choice of solution methods, model equations (for example turbulence models of turbulent flow) and visualization tools, as reviewed by Zauner (1999) below. 

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. 

Instead of using just energy conservation, Moody (1975) derived a revised model that takes into account all the conservation laws. He found that critical flow rate is given by a determinantal equation that gives G as a function of p, X, and S. 

An improved CHF model for low-quality flow The Weisman-Pei model was later improved by employing a mechanistic CHF model developed by Lee and Mu-dawwar (1988) based on the Helmholtz instability at the microlayer-vapor interface as a trigger condition for microlayer dryout (Fig. 5.21). The CHF can be expressed by the following equation due to the energy conservation of the microlayer (Lin et al. 1989) ... 

This equation may be used as an appropriate form of the law of energy conservation in various pseudo homogeneous models of fixed bed reactors. Radial transport by effective thermal conduction is an essential element of two-dimensional reactor models but, for one-dimensional models, the last term must be replaced by one involving heat losses to the walls. 

Using the same assumptions that were made in the vapor-layer model, the energy-conservation equation for the incompressible 2-D vapor phase can be simplified to a 1-D equation in boundary layer coordinates ... 

The research group led by Zhou [68,69] has also investigated the use of perforated materials as cathode DLs in PEMFCs through modeling. However, the group s model results were produced based only on conservation of mass and momentum (i.e., energy and electrochemical equations were not considered). This model studied only how different shapes of perforations affected the liquid water removal through the DL. 

A fundamental fuel cell model consists of five principles of conservation mass, momentum, species, charge, and thermal energy. These transport equations are then coupled with electrochemical processes through source terms to describe reaction kinetics and electro-osmotic drag in the polymer electrolyte. Such convection—diffusion—source equations can be summarized in the following general form... 

Calculations taking into account the strong coupling between the radiant energy conservation equation and the momentum, mass, and heat balances call for a model describing this interaction as a function of space and time. 

Numerical models of conserved order-parameter evolution and of nonconserved order-parameter evolution produce simulations that capture many aspects of observed microstructural evolution. These equations, as derived from variational principles, constitute the phase-field method [9]. The phase-field method depends on models for the homogeneous free-energy density for one or more order parameters, kinetic assumptions for each order-parameter field (i.e., conserved order parameters leading to a Cahn-Hilliard kinetic equation), model parameters for the gradient-energy coefficients, subsidiary equations for any other fields such as heat flow, and trustworthy numerical implementation. 

Process-scale models represent the behavior of reaction, separation and mass, heat, and momentum transfer at the process flowsheet level, or for a network of process flowsheets. Whether based on first-principles or empirical relations, the model equations for these systems typically consist of conservation laws (based on mass, heat, and momentum), physical and chemical equilibrium among species and phases, and additional constitutive equations that describe the rates of chemical transformation or transport of mass and energy. These process models are often represented by a collection of individual unit models (the so-called unit operations) that usually correspond to major pieces of process equipment, which, in turn, are captured by device-level models. These unit models are assembled within a process flowsheet that describes the interaction of equipment either for steady state or dynamic behavior. As a result, models can be described by algebraic or differential equations. As illustrated in Figure 3 for a PEFC-base power plant, steady-state process flowsheets are usually described by lumped parameter models described by algebraic equations. Similarly, dynamic process flowsheets are described by lumped parameter models comprising differential-algebraic equations. Models that deal with spatially distributed models are frequently considered at the device... 

Equation 1.3 represents a system of usually several thousand coupled differential equations of second order. It can be solved only numerically in small time steps At via finite-difference methods [16]. There always the situation at t + At is calculated from the situation at t. Considering the very fast oscillations of covalent bonds, At must not be longer than about 1 fs to avoid numerical breakdown connected with problems with energy conservation. This condition imposes a limit of the typical maximum simulation time that for the above-mentioned system sizes is of the order of several ns. The limited possible size of atomistic polymer packing models (cf. above) together with this simulation time limitation also set certain limits for the structures and processes that can be reasonably simulated. Furthermore, the limited model size demands the application of periodic boundary conditions to avoid extreme surface effects. 

JAEA conducted an improvement of the RELAP5 MOD3 code (US NRC, 1995), the system analysis code originally developed for LWR systems, to extend its applicability to VHTR systems (Takamatsu, 2004). Also, a chemistry model for the IS process was incorporated into the code to evaluate the dynamic characteristics of process heat exchangers in the IS process (Sato, 2007). The code covers reactor power behaviour, thermal-hydraulics of helium gases, thermal-hydraulics of the two-phase steam-water mixture, chemical reactions in the process heat exchangers and control system characteristics. Field equations consist of mass continuity, momentum conservation and energy conservation with a two-fluid model and reactor power is calculated by point reactor kinetics equations. The code was validated by the experimental data obtained by the HTTR operations and mock-up test facility (Takamatsu, 2004 Ohashi, 2006). 

A key aspect of modeling is to derive the appropriate momentum, mass, or energy conservation equations for the reactor. These balances may be used in lumped systems or derived over a differential volume within the reactor and then integrated over the reactor volume. Mass conservation equations have the following general form ... 

Chemical Kinetics Reactor models include chemical kinetics in the mass and energy conservation equations. The two basic laws of kinetics are the law of mass action for the rate of a reaction and the Arrhenius equation for its dependence on temperature. Both of these strictly apply to elementary reactions. More often, laboratory data are... 

The present chapter is not meant to be exhaustive. Rather, an attempt has been made to introduce the reader to the major concepts and tools used by catalytic reaction engineers. Section 2 gives a review of the most important reactor types. This is deliberately not done in a narrative way, i.e. by describing the physical appearance of chemical reactors. Emphasis is placed on the way mathematical model equations are constructed for each category of reactor. Basically, this boils down to the application of the conservation laws of mass, energy and possibly momentum. Section 7.3 presents an analysis of the effect of the finite rate at which reaction components and/or heat are supplied to or removed from the locus of reaction, i.e. the catalytic site. Finally, the material developed in Sections 7.2 and 7.3 is applied to the design of laboratory reactors and to the analysis of rate data in Section 7.4. 

With these specifications, and with the appropriate neutral particle-plasma collision terms put into the combined set of neutral and plasma equations, internal consistency within the system of equations is achieved. Overall particle, momentum and energy conservation properties in the combined model result from the symmetry properties of the transition probabilities W indices of pre-collision states may be permuted, as well as indices of postcollision states. For elastic collisions even pre- and post collision states may be exchanged in W. 

The Navier-Stokes equations and the flow continuity equation together give the general flow model other cases associate various forms of the energy conservation equation to this model. 

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