Equation-based

To overcome some of the problems inlierent in the UFIF method, it is possible to derive SCF equations based on minimizing the energy of a wavefiinction fomied by spin projecting a single Slater detemiinant starting... 

Peskin U and Steinberg M 1998 A temperature-dependent Schrodinger equation based on a time-dependent self consistent field approximation J. Chem. Phys. 109 704... 

A simple derivation of tliis equation based on tire lowest-order derivative (curvature) of tire layer displacement field u(r) has been provided [87]. A similar expression can be obtained for a uniaxial columnar phase [20] (witli tire columns lying in tire z direction) ... 

W. Gautschi. Numerical integration of ordinary differential equations based on trigonometric polynomials. Numer. Math., 3 381-397, 1961. 

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. 

Count the number of species whose concentrations appear in the equilibrium constant expressions these are your unknowns. If the number of unknowns equals the number of equilibrium constant expressions, then you have enough information to solve the problem. If not, additional equations based on the conservation of mass and charge must be written. Continue to add equations until you have the same number of equations as you have unknowns. 

The effective saturation depth,, represents the depth of water under which the total pressure (hydrostatic plus atmospheric) would produce a saturation concentration equal to for water ia contact with air at 100% relative humidity. This can be calculated usiag the above equation, based on a spatial average value of T, measured by a clean water test. For design purposes,, can be estimated from clean water test results on similar systems, and it can range from 5 to 50% of tank Hquid depth. Effective depth values for coarse bubble diffused air, fine bubble diffused air, and low speed surface aerators are 26 to 34%, 21 to 44%, and 5 to 7%, of the Hquid depth, respectively. 

Many attempts have been made to develop an equation based on the semiconductkig transfer function of thermistors. These have usually been of the form... 

The acentric factor, CO, was the third parameter used (20) in an equation based on the second virial coefficient. This equation was further modified and is suitable for reduced temperatures above 0.5. 

Liquids For pure component hydrocarbon liquids at reduced temperatures between 0.25 and 0.8 and at pressures below 3.4 MPa, an equation based on the methods of Pachaiyappan et al. and RiedeP may be used ... 

Formulate the constraining material-balance equations, based on conservation of the total number of atoms of each element in a system comprised of w elements. Let subscript k identify a particular atom, and define Ai as the total number of atomic masses of the /cth element in the feed. Further, let a be the number of atoms of the /cth element present in each molecule of chemical species i. The material balance for element k is then... 

For a single stream, division bym provides an equation based on a unit amount of fluid flowing through the control volume ... 

If data on several furnaces of a single class are available, a similar treatment can lead to a partially empirical equation based on simphfied rules for obtaining (GS )r or an effective A. Because Eq. (5-178) has a structure which covers a wide range of furnace types and has a sound theoretical basis, it provides safer structures of empirical design equations than many such equations available in the engineering hterature. 

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... 

In the filtration of small amounts of fine particles from liquid by means of bulky filter media (such as absorbent cotton or felt) it has been found that the preceding equations based upon the resistance of a cake of solids do not hold, since no cake is formed. For these cases, in which filtration takes place on the surface or within the interstices of a medium, analogous equations have been developed [Hermans and Bredee, J. Soc. Chem. Ind., 55T, 1 (1936)]. These are usefully summarized, for both constant-pressure and constant-rate conditions, by Grace [Am. In.st. Chem. Eng. J., 2, 323 (1956)]. These equations often apply to the clarification of such materials as sugar solutions, viscose and other spinning solutions, and film-casting dopes. 

Mak s developed isothermal equation (based on the manifold outlet pressure rather than the inlet) is ... 

More work is necessary before solute distribution between immiscible phases can be quantitatively described by classical physical chemistry theory. In the mean time, we must content ourselves with largely empirical equations based on experimentally confirmed relationships in the hope that they will provide an approximate estimate of the optimum phase system that is required for a particular separation. 

Employing mechanistic equations based on the Rice-Herzfeld postulation yields ... 

Consider a first order, exothermic reaction (aA —> products) in a CFSTR having a constant supply of new reagents, and maintained at a steady state temperature T that is uniform throughout the system volume. Assuming perfect mixing and no density change, the material balance equation based on reactants is expressed as uC g = +... 

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. 

Emission from an open liquid face (e.g., open tanks, liquid spills on the floor surface) can be evaluated using equations based on criteria relations and empirical data. Assuming that the heat and mass transfer processes can be described using similar differential equations, the criteria equation describing the evaporation process will be similar to one describing the heat transfer ... 

Centerline velocity in Zone 3 of the supply jet can be calculated from the equations based on the principle of momentum conservation along the jet ... 

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 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 ... 

This equation, which is called the Deutsch equation, has been shown to be a useful tool for estimating the performance of electrostatic precipitators. An interesting detail in the Deutsch equation is the exponent, which is equal to the collection efficiency of a laminar flow system. The equations based on laminar flow and turbulent flow can be assumed to be the extreme conditions, and the true situation is somewhere in between these two cases (see Fig. 13.1,5). 

Ward and Sommerfeld [130] present an equation based on the curves shown in Figure 9-21C, D and referenced to Eckert [125] and Leva [43] for calculating the gas and liquid flooding rates. There have been numerous other equations targeted for this pmpose, but many are too awkward for easy general use. The proposed equations have been tested by the authors. 

The reaction mechanisms may assist us in obtaining a suitable rate equation. Based on the enzyme reaction mechanism given by (5.7.1.18) for the intermediate enzyme-substrate complex, the following equations are derived for ES ... 

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... 

Designers of most structures specify material stresses and strains well within the pro-portional/elastic limit. Where required (with no or limited experience on a particular type product materialwise and/or process-wise) this practice builds in a margin of safety to accommodate the effects of improper material processing conditions and/or unforeseen loads and environmental factors. This practice also allows the designer to use design equations based on the assumptions of small deformation and purely elastic material behavior. Other properties derived from stress-strain data that are used include modulus of elasticity and tensile strength. 

The system of equations based solely on the two fundamental laws constitutes what may be called the Classical Thermodynamics. Although perhaps different points of view may be adopted in the future in the interpretation of these equations, it is as unlikely that any fundamental change will be made in this region as that the two laws themselves will turn out to be incorrect. 

Since most equations of state are pressure-explicit, Eqs. (6) and (99) are often more convenient than Eqs. (5) and (98). With these equations, basing his calculations on van der Waals equation of state, Temkin (Tl) showed that gas-gas immiscibility may occur if the van der Waals constants a and b... 

When reaction is absent from certain crystallographic surfaces, the formulation of rate equations based on geometric considerations proceeds exactly as outlined above, but includes only the advance of interfaces into the bulk of the reactant particle from those crystallographic surfaces upon which the coherent reactant/product contact is initially established. When reaction occurs only at the edges of a disc or plate-like particle... 

The Dunwald—Wagner equation, based on the application of Ficks second law of diffusion into or out of a sphere (radius r) [477], can be written... 

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... 

Most processes were deceleratory throughout, fitting a rate equation based on the reaction order eqns. (15)—(17). ( indicates a nucleation and growth reaction.)... 

The retarding influence of the product barrier in many solid—solid interactions is a rate-controlling factor that is not usually apparent in the decompositions of single solids. However, even where diffusion control operates, this is often in addition to, and in conjunction with, geometric factors (i.e. changes in reaction interfacial area with a) and kinetic equations based on contributions from both sources are discussed in Chap. 3, Sect. 3.3. As in the decompositions of single solids, reaction rate coefficients (and the shapes of a—time curves) for solid + solid reactions are sensitive to sizes, shapes and, here, also on the relative dispositions of the components of the reactant mixture. Inevitably as the number of different crystalline components present initially is increased, the number of variables requiring specification to define the reactant completely rises the parameters concerned are mentioned in Table 17. 

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