Models equation-based

Model equations based on chromatographic theory should be preferred to strictly mathematical ones. 

Section 6.2 shows how they are placed within the model equations. Based on the assumptions for these models it follows that all plant effects as well as axial dispersion, void fraction and mass transfer resistance are independent of the adsorption/ desorption within the column. Modeling always results in a virtual image of the real world, i.e. in reality the parameters might be influenced by adsorption, but with a reliable model this is of minor importance. 

Formulation of the model equations based on the principles of mass, energy and momentum balances appropriate to the type of system. 

Definition A.12 Residual) Fault indicator based on deviations between measurements and model equation based calculations. 

Model equation based on data from the 3 x 3 inch cross-section at /"= 18.8 MPa ... 

The corresponding fiinctions i-, Xj etc. then define what are known as the normal coordinates of vibration, and the Hamiltonian can be written in tenns of these in precisely the fonn given by equation (AT 1.69). witli the caveat that each tenn refers not to the coordinates of a single particle, but rather to independent coordinates that involve the collective motion of many particles. An additional distinction is that treatment of the vibrational problem does not involve the complications of antisymmetry associated with identical fennions and the Pauli exclusion prmciple. Products of the nonnal coordinate fiinctions neveitlieless describe all vibrational states of the molecule (both ground and excited) in very much the same way that the product states of single-electron fiinctions describe the electronic states, although it must be emphasized that one model is based on independent motion and the other on collective motion, which are qualitatively very different. Neither model faithfully represents reality, but each serves as an extremely usefiil conceptual model and a basis for more accurate calculations. 

Smoluchowski theory [29, 30] and its modifications fonu the basis of most approaches used to interpret bimolecular rate constants obtained from chemical kinetics experiments in tenus of difhision effects [31]. The Smoluchowski model is based on Brownian motion theory underlying the phenomenological difhision equation in the absence of external forces. In the standard picture, one considers a dilute fluid solution of reactants A and B with [A] [B] and asks for the time evolution of [B] in the vicinity of A, i.e. of the density distribution p(r,t) = [B](rl)/[B] 2i ] r(t))l ] Q ([B] is assumed not to change appreciably during the reaction). The initial distribution and the outer and inner boundary conditions are chosen, respectively, as... 

One of Che earliest examples of a properly conceived experimental investigation of the flux relations for a porous medium is provided by the work of Gunn and King [53] on the dusty gas model equations, and the following discussion is based largely on their work. Since all their experiments were performed on binary mixtures, the appropriate flux relations are (5.26) and (5,27). Writing... 

It is evident that application of Green s theorem cannot eliminate second-order derivatives of the shape functions in the set of working equations of the least-sc[uares scheme. Therefore, direct application of these equations should, in general, be in conjunction with C continuous Hermite elements (Petera and Nassehi, 1993 Petera and Pittman, 1994). However, various techniques are available that make the use of elements in these schemes possible. For example, Bell and Surana (1994) developed a method in which the flow model equations are cast into a set of auxiliary first-order differentia] equations. They used this approach to construct a least-sciuares scheme for non-Newtonian flow equations based on equal-order C° continuous, p-version hierarchical elements. 

Incorporation of viscosity variations in non-elastic generalized Newtonian flow models is based on using empirical rheological relationships such as the power law or Carreau equation, described in Chapter 1. In these relationships fluid viscosity is given as a function of shear rate and material parameters. Therefore in the application of finite element schemes to non-Newtonian flow, shear rate at the elemental level should be calculated and used to update the fluid viscosity. The shear rale is defined as the second invariant of the rate of deformation tensor as (Bird et at.., 1977)... 

Deterministic air quaUty models describe in a fundamental manner the individual processes that affect the evolution of pollutant concentrations. These models are based on solving the atmospheric diffusion —reaction equation, which is in essence the conservation-of-mass principle for each pollutant species... 

The most successful models are based on the finite element method. The flow is discretized into small subregions (elements) and mass and force balances are appHed in each. The result is a large system of equations, the solution of which usually gives the speed of the coating Hquid in each element, pressure, and the location of the unknown free surfaces. The smaller the elements, the more the equations which are often in the range of 10,000 to upward of 100,000. 

Kamlet-Taft Linear Solvation Energy Relationships. Most recent works on LSERs are based on a powerfiil predictive model, known as the Kamlet-Taft model (257), which has provided a framework for numerous studies into specific molecular thermodynamic properties of solvent—solute systems. This model is based on an equation having three conceptually expHcit terms (258). 

From the above list of rate-based model equations, it is seen that they total 5C -t- 6 for each tray, compared to 2C -t-1 or 2C -t- 3 (depending on whether mole fractious or component flow rates are used for composition variables) for each stage in the equihbrium-stage model. Therefore, more computer time is required to solve the rate-based model, which is generally converged by an SC approach of the Newton type. 

In general, fiiU time-dependent analytical solutions to differential equation-based models of the above mechanisms have not been found for nonhnear isotherms. Only for reaction kinetics with the constant separation faclor isotherm has a full solution been found [Thomas, y. Amei Chem. Soc., 66, 1664 (1944)]. Referred to as the Thomas solution, it has been extensively studied [Amundson, J. Phy.s. Colloid Chem., 54, 812 (1950) Hiester and Vermeiilen, Chem. Eng. Progre.s.s, 48, 505 (1952) Gilliland and Baddonr, Jnd. Eng. Chem., 45, 330 (1953) Vermenlen, Adv. in Chem. Eng., 2, 147 (1958)]. The solution to Eqs. (16-130) and (16-130) for the same boimdaiy condifions as Eq. (16-146) is... 

Mass-action model of surfactant micelle formation was used for development of the conceptual retention model in micellar liquid chromatography. The retention model is based upon the analysis of changing of the sorbat microenvironment in going from mobile phase (micellar surfactant solution, containing organic solvent-modifier) to stationary phase (the surfactant covered surface of the alkyl bonded silica gel) according to equation ... 

In general, tolerance stack models are based on either the wor.st case or statistical approaches, including those given in the references above. The worst case model (see equation 3.1) assumes that each component dimension is at its maximum or minimum limit and that the sum of these equals the assembly tolerance (initially this model was presented in Chapter 2). The tolerance stack equations are given in terms of bilateral tolerances on each component dimension, which is a common format when analysing tolerances in practice. The worst case model is ... 

A model can be defined as a set of relationships between the variables of interest in the system being investigated. A set of relationships may be in the form of equations the variables depend on the use to which the model is applied. Therefore, mathematical equations based on mass and energy balances, transport phenomena, essential metabolic pathway, and physiology of the culture are employed to describe the reaction processes taking place in a bioreactor. These equations form a model that enables reactor outputs to be related to geometrical aspects and operating conditions of the system. 

Another method is a series of exhaust dilution equations based on Wilson and Lamb " and a series of earlier papers summarized in ASHRAE. This method is based on wind tunnel tests on simplified buildings and is intended to provide conservative (low dilution) results. Wilson and Lamb compared the model to actual field data collected at a university campus and found that the model did indeed predict dilutions similar to measured worst-case dilutions suitable for a screening model. However, many cases resulted in conservative Linderpredictions of dilutions. ... 

The calculation of the two-zone model is based on the balance equations for air mass flow, contaminant mass flow, water vapor mass flow, and heat flow of both zones. 

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 ... 

It is only po.ssible to obtain similar solutions in situations where the governing equations (Eqs. (12.40) to (12.44)) are identical in the full scale and in the model. This tequirement will be met in situations where the same dimensionless numbers are used in the full scale and in the model and when the constants P(i, p, fj.Q,.. . have only a small variation within the applied temperature and velocity level. A practical problem when water is used as fluid in the model is the variation of p, which is very different in air and in water see Fig. 12.27. Therefore, it is necessary to restrict the temperature differences used in model experiments based on water. 

White s equation is widely used mainly because it is easy to use and because it gives values which are in reasonable agreement with the experimental ones. However, because this model is based on the kinetic theory of gases, it should be used for small particles only. This model (as many others) assumes that particle charge can be described with a continuous function. Especially in the case of small particles, only the lowest charge numbers (0, 1, 2) are possible, and therefore the model—which does not take into account the discrete charge numbers—is somewhat questionable. 

The parameters of the Monod cell growth model are needed i.e. the maximum specific growth rate and the Michaelis-Menten constant are required for a suitable rate equation. Based on the data presented in Tables 10.1 and 10.2, obtain kinetic parameters for... 

It is usually assumed in the derivation of isothermal rate equations based on geometric reaction models, that interface advance proceeds at constant rate (Chap. 3 Sects. 2 and 3). Much of the early experimental support for this important and widely accepted premise derives from measurements for dehydration reactions in which easily recognizable, large and well-defined nuclei permitted accurate measurement. This simple representation of constant rate of interface advance is, however, not universally applicable and may require modifications for use in the formulation of rate equations for quantitative kinetic analyses. Such modifications include due allowance for the following factors, (i) The rate of initial growth of small nuclei is often less than that ultimately achieved, (ii) Rates of interface advance may vary with crystallographic direction and reactant surface, (iii) The impedance to water vapour escape offered by... 

A simulation was performed for an experiment with [O3] = 3.16 X 10-5 M and [OH-] = 7.17 X 10-3 M. The kinetic curve calculated by the kinsim program form this model is depicted in Fig. 5-4. Also shown is an experimental curve calculated from an empirical equation, based on the equation that applies at this OH- concentration ... 

A theoretical model for the prediction of the critical heat flux of refrigerants flowing in heated, round micro-channels has been developed by Revellin and Thome (2008). The model is based on the two-phase conservation equations and includes the effect of the height of the interfacial waves of the annular film. Validation has been carried out by comparing the model with experimental results presented by Wojtan et al. (2006), Qu and Mudawar (2004), Bowers and Mudawar (1994), Lazareck and Black (1982). More than 96% of the data for water and R-113, R-134a, R-245fa were predicted within 20%. 

Pharmacokinetic Model—A set of equations that can be used to describe the time course of a parent chemical or metabolite in an animal system. There are two types of pharmacokinetic models data-based and physiologically-based. A data-based model divides the animal system into a series of compartments which, in general, do not represent real, identifiable anatomic regions of the body whereby the physiologically-based model compartments represent real anatomic regions of the body. 

FIGURE 22.11 Uniaxial stress-strain data (up-cycles) of solution-based styrene-butadiene rubber (S-SBR) samples with 60 phr silica at different prestrains s =100%, 150%, 200%, 250%, and 300% (symbols) and fittings (lines) with the stress-softening model Equations 22.19-22.24. The fitting parameters are indicated. The insert shows a magnification of the small-strain data. (From Kliippel, M. and Heinrich, G., Kautschuk, Gummi, Kunststojfe, 58, 217, 2005. With permission.)... 

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