Models origin

A kinetic model originally derived by Nyholm is distinguished from Monod s model by the fate of a hmiting substrate. Instead of immediate metabolism, the substrate in Nyholm s model is sequestered. The governing equations are ... 

LESOCOOL is an easy-to-use computer program for the determination of passive cooling potential by nighttime ventilation. 21 [t is based on a simple combined airflow and thermal model, originally described in Van der Maas and Roulet. -... 

During the early development of the Jacobsen-Katsuki epoxidation reaetion, it was elear that trans-disubstituted olefins were very poor substrates (slow reaetion rates, low enantioseleetivity) eompared to cis-disubstituted olefins. The side-on approaeh model originally proposed by Groves for porphyrin epoxidation systems was used to rationalize the differenees observed in the epoxidation of the cis and trans-disubstituted elasses (Seheme 1.4.7). ... 

To account for tlie observed diastereoselectivity, a "modified" Felfcin-Anb model has been proposed [18], Jn analogy to tlie classical Felkin-Anb model, originally developed for tlie addition of otganometallic reagents to aldeliydes possessing a... 

The unsteady model, originally formulated in terms of a partial differential equation, is thus transformed into N difference differential equations. As a result of the finite-differencing, a solution can be obtained for the variation with respect to time of the water concentration, for every segment, throughout the bed. 

An alternative description of membrane stability has been based on hydrodynamic models, originally developed for liquid films in various environments [54-56]. Rupture of the film was rationalized by the instability of symmetrical squeezing modes (SQM) related to the thickness fluctuations. In the simplest form it can be described by a condition [54] d Vdis/dh < where is the interaction contribution related to the dis-... 

John von Neumann constructed several models (originally known as kinematic models ) with the goal of incorporating the logical core of self-production into the system. Others studied von Neumann s model and modified it, for example, Walter Fontana, who devised the AlChemy (Algorithmic Chemistry) system. This can be described as artificial chemistry, an evolution reactor in which the objects which react are not molecules but mathematical functions. 

Figure 7. Steric model proposed by Jerina, et al. for the catalytic binding site of cytochrome P-450c (P-448) to account for the stereoselective metabolism of polycyclic aromatic hydrocarbons (48). The boundary should be enlarged in the directions shown to accommodate substrates whose mechanism of stereoselective oxygenation does not fit the steric model originally proposed.

In the current state of the art, almost all multiphase CFD models available in commercial codes use some type of turbulence model based on extending models originally developed for single-phase flows. Such CFD models are thus meant to describe fully turbulent flows (as opposed to laminar or transitional flows). Nevertheless, many of these models have not been validated... 

The regular solution model, originally introduced by Hildebrand [2] and further developed by Guggenheim [3], is the most used physical model beside the ideal... 

Further work (10) with acid effects in the radiolysis of binary mixtures such as benzene-methanol and pyridine-methanol indicates that the acid phenomenon is more complicated than the simple H atom model originally developed ( ). These more recent experiments (10) show that whilst increased hydrogen atom yields in the presence of acid enhance the overall grafting yield, other mechanisms also contribute to this acid effect. Thus the acid stability of intermediate radicals (I-III) and also analogous species involving the trunk polymer are important. With radicals (I-III), at low styrene concentrations in methanol, these intermediates (MR-) will predominantly react with other available... 

Brunauer-Emmett-Teller (BET) adsorption describes multi-layer Langmuir adsorption. Multi-layer adsorption occurs in physical or van der Waals bonding of gases or vapors to solid phases. The BET model, originally used to describe this adsorption, has been applied to the description of adsorption from solid solutions. The adsorption of molecules to the surface of particles forms a new surface layer to which additional molecules can adsorb. If it is assumed that the energy of adsorption on all successive layers is equal, the BET adsorption model [36] is expressed as Eq. (6) ... 

Concerning the structure of dispersed CLAs, the model originally proposed by Sebba [57] of a spherical oil-core droplet surrounded by a thin aqueous film stabilized by the presence of three surfactant layers is, in our opinion, essentially correct. However, there is still little direct evidence for the microstructure of the surfactant interfaces. From an engineering point of view, however, there is now quantitative data on the stability of CLAs which, together with solute mass transfer kinetics, should enable the successful design and operation of a CLA extraction process. 

Essentially, sublattice models originate from the concepts of Temkin (1945) who proposed that two separate sublattices exist in a solid-state crystal for cations and anions. The configurational entropy is then governed by the site occupation of the various cations and anions on their respective sublattices. When the valence of the cations and anions on the sublattices are equal, and electroneutrality is maintained, the model parameters can be represented as described in Section 5.4.2. However, when the valence of the cations and anions varies, the situation becomes more complex and some additional restrictions need to be made. These can be expressed by considering equivalent fractions (/) which, for a sublattice phase with the formula (/, . .. )(M"", . ..), are given by... 

The most popular method for analysis of covariance is the proportional hazards model. This model, originally developed by Cox (1972), is now used extensively in the analysis of survival data to incorporate and adjust for both centre and covariate effects. The model assumes that the hazard ratio for the treatment effect is constant. 

Garrahan and Chandler [230] have recently attempted to rationalize the string-like motion in supercooled liquids based on a completely different concept of dynamic facilitation, derived from the study of magnetic spin models originally developed by Fredrickson and Anderson [231]. Although these spin models seem to exhibit dynamic heterogeneity of some kind and slow relaxation processes, the slowing down of the dynamics in these models is entirely decoupled from the spin model s thermodynamics [116, 230]. In view... 

We have used an autocatalytic model originally proposed by Malkin et al. [62]. Bolgov et al. [61] found that the originally proposed autocatalytic model [62], which was valid for equal concentration of initiator and catalyst during the anionic polymerization of caprolactam, can be modified for unequal concentration of the initiator and catalyst by an autocatalytic equation of type... 

The starting point for the MO procedure is the donor (D)-acceptor (A) model originally proposed by Mulliken (Mulliken, 1952a,b Mulliken and Person, 1969). Let us consider the possible electronic MO configurations of a donor and acceptor pair. The donor molecule is represented by an electron... 

Figure 4.18 PoLiSh strategy to set the number of latent variables to be included in the PLS model. Application of the Durbin-Watson criterion to any series suggests that after latent variable 5, random noise is introduced into the model. This should be the maximum dimensionality to consider in the model (original data in Figure 4.9, mean centred).

Figure 4.22 Example of a control chart to test for outlying samples on the calibration set. Four factors were used to develop the model (original spectra from Figure 4.9, mean centred).

Figure 4.25 Predicted vs reference concentration plot and several related statistics to evaluate the adequacy of the PLS model (original data, Figure 4.9, mean centred, four factors in the PLS model).

The optical anisotropies y and molar Kerr constants mK of model compounds, and of polylp-chlorostyrene) and polyfp-bromostyrene), are determined. Averages and over all conformations of the polymer chains are calculated as functions of the fraction wm of the meso diads using the RIS model originally developed for PS. 

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