Temperature gradients mathematical modeling

On the continuum level of gas flow, the Navier-Stokes equation forms the basic mathematical model, in which dependent variables are macroscopic properties such as the velocity, density, pressure, and temperature in spatial and time spaces instead of nf in the multi-dimensional phase space formed by the combination of physical space and velocity space in the microscopic model. As long as there are a sufficient number of gas molecules within the smallest significant volume of a flow, the macroscopic properties are equivalent to the average values of the appropriate molecular quantities at any location in a flow, and the Navier-Stokes equation is valid. However, when gradients of the macroscopic properties become so steep that their scale length is of the same order as the mean free path of gas molecules,, the Navier-Stokes model fails because conservation equations do not form a closed set in such situations. 

Topaz was used to calculate the time response of the model to step changes in the heater output values. One of the advantages of mathematical simulation over experimentation is the ease of starting the experiment from an initial steady state. The parameter estimation routines to follow require a value for the initial state of the system, and it is often difficult to hold the extruder conditions constant long enough to approach steady state and be assured that the temperature gradients within the barrel are known. The values from the Topaz simulation, were used as data for fitting a reduced order model of the dynamic system. 

The gas motion near a disk spinning in an unconfined space in the absence of buoyancy, can be described in terms of a similar solution. Of course, the disk in a real reactor is confined, and since the disk is heated buoyancy can play a large role. However, it is possible to operate the reactor in ways that minimize the effects of buoyancy and confinement. In these regimes the species and temperature gradients normal to the surface are the same everywhere on the disk. From a physical point of view, this property leads to uniform deposition - an important objective in CVD reactors. From a mathematical point of view, this property leads to the similarity transformation that reduces a complex three-dimensional swirling flow to a relatively simple two-point boundary value problem. Once in boundary-value problem form, the computational models can readily incorporate complex chemical kinetics and molecular transport models. 

The temperature with large columns may not be homogenous. A mathematical model of the effect of a radial temperature gradient has been developed and validated on octadecyl-packed columns of 11-15 cm diameter... 

Preliminary residence time distribution studies should be conducted on the reactor to test this assumption. Although in many cases it may be desirable to increase the radial aspect ratio (possibly by crushing the catalyst), this may be difficult with highly exothermic solid-catalyzed reactions that can lead to excessive temperature excursions near the center of the bed. Carberry (1976) recommends reducing the radial aspect ratio to minimize these temperature gradients. If the velocity profile in the reactor is significantly nonuniform, the mathematical model developed here allows predictive equations such as those by Fahien and Stankovic (1979) to be easily incorporated. 

Simultaneous measurements of the rate of change, temperature and composition of the reacting fluid can be reliably carried out only in a reactor where gradients of temperature and/or composition of the fluid phase are absent or vanish in the limit of suitable operating conditions. The determination of specific quantities such as catalytic activity from observations on a reactor system where composition and temperature depend on position in the reactor requires that the distribution of reaction rate, temperature and compositions in the reactor are measured or obtained from a mathematical model, representing the interaction of chemical reaction, mass-transfer and heat-transfer in the reactor. The model and its underlying assumptions should be specified when specific rate parameters are obtained in this way. 

The spatial distribution of composition and temperature within a catalyst particle or in the fluid in contact with a catalyst surface result from the interaction of chemical reaction, mass-transfer and heat-transfer in the system which in this case is the catalyst particle. Only composition and temperature at the boundary of the system are then fixed by experimental conditions. Knowledge of local concentrations within the boundaries of the system is required for the evaluation of activity and of a rate equation. They can be computed on the basis of a suitable mathematical model if the kinetics of heat- and mass-transfer arc known or determined separately. It is preferable that experimental conditions for determination of rate parameters should be chosen so that gradients of composition and temperature in the system can be neglected. 

A comprehensive mathematical model has been formulated for the CRAE column which considers temperature and velocity gradients, dispersion, electroosmosis and adsorption (20). For the sake of completeness, the governing equations are summarized below. Conservation of momentum is expressed by... 

Consequently, the proposed model allows the necessary information regarding the electrolyte-metal electrode interface and about the character of the electronic conductivity in solid electrolytes to be obtained. To an extent, this is additionally reflected by the broad range of theoretical studies currently published in the scientific media and is inconsistent with some of the research outcomes relative to both physical chemistry of phenomena on the electrolyte-electrode interfaces and their structures. Partially, this is due to relative simplifications of the models, which do not take into account multidimensional effects, convective transport within interfaces, and thermal diffusion owing to the temperature gradients. An opportunity may exist in the further development of a number of the specific mathematical and numerical models of solid electrolyte gas sensors matched to their specific applications however, this must be balanced with the resistance of sensor manufacturers to carry out numerous numbers of tests for verification and validation of these models in addition to the technological improvements. 

The strong dependencies of the sample gradient on sample thickness and on the heating rate are evident in Fig.2, in which are plotted the differences in indicated temperatures for melting of indiiim on the cup lid and bottom and on the top of four polystyrene samples of varying thickness. The sample gradients for the steady state (T = 0) are seen to vary from nearly zero for sample X to almost the total drop across the sample cup itself in the case of sample W. In our mathematical model these steady state gradients are independent of the sample specific heat but dependent on the ratio of thermal conductivities of sample and... 

In a pore space only partly saturated with soil water, mass transport in the gaseous phase must additionally be considered, i.e. through the pore space filled with soil air. Temperature differences result in the movement of water and water vapour and thus also in pollutant transport. These effects are not considered here. In the following, only the simplest mathematical model is discussed for the description of the mass transport (van Genuchten and Wagenet 1989) a homogeneous, water-saturated soil material of constant temperature is assumed. All initial values, concentration, hydraulic gradient etc. should only depend on one coordinate x and the coordinate axis is assumed to be perpendicular to the plane of the liner, see... 

A real calorimeter is composed of many parts made from materials with different heat conductivities. Between these parts one can expect the existence of heat resistances and heat bridges. To describe the heat transfer in such a system, a new mathematical model of the calorimeter was elaborated [8, 19] based on the assumption that constant temperatures are ascribed to particular parts of the calorimeter. In the system discussed, temperature gradients can occur a priori. Before defining the general heat balance equation, let us consider the particular solutions of the equation of conduction of heat for a rod and sphere. For a body treated as a rod in which the process takes place under isobaric conditions, without mass exchange, the Fourier-Kirchhoff equation may be written as... 

Mathematical modeling of the flow through SSE considers that the screw and the barrel are unwound. The screw is stationary and the barrel moves over it at the correct gap height and the pitch angle. The initial models assumed (i) steady state, (ii) constant melt density and thermal conductivity, (iii) conductive heat only perpendicular to the barrel surface, (iv) laminar flow of Newtonian liquid without a wall slip, (v) no pressure gradient in the melt film, and (vi) temperature effect on viscosity was neglected. Later models introduced non-Newtonian and non-isothermal flows. Present computer programs make it possible to simulate the flow in three dimensions, 3D [39]. 

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