Hyperbolic tangent

The limit is well approached when ( ) = 3, due to the very steep nature of the hyperbolic tangent. 

The simulated free surface of liquid water is relatively stable for several nanoseconds [68-72] because of the strong hydrogen bonds formed by liquid water. The density decrease near the interface is smooth it is possible to describe it by a hyperbolic tangent function [70]. The width of the interface, measured by the distance between the positions where the density equals 90% and 10% of the bulk density, is about 5 A at room temperature [70,71]. The left side of Fig. 3 shows a typical density profile of the free interface for the TIP4P water model [73]. 

The inhomogeneous soliton solution with boundary conditions Eq. (3.1) has the form of a hyperbolic tangent 15, 6J ... 

When the Thiele modulus for the unpoisoned pore is small (i.e., the surface is completely available), the hyperbolic tangent terms become equal to their arguments and is given by... 

In order to demonstrate the selective effect of pore-mouth poisoning, it is instructive to consider the two limiting cases of reaction conditions corresponding to large and small values of the Thiele modulus for the poisoned reaction. For the case of active catalysts with small pores, the arguments of all the hyperbolic tangent terms in equation 12.3.124 will become unity and... 

Now consider the other extreme condition where diffusion is rapid relative to chemical reaction [i.e., hT( 1 — a) is small]. In this situation the effectiveness factor will approach unity for both the poisoned and unpoisoned reactions, and we must retain the hyperbolic tangent terms in equation 12.3.124 to properly evaluate Curve C in Figure 12.11 is calculated for a value of hT = 5. It is apparent that in this instance the activity decline is not nearly as sharp at low values of a as it was at the other extreme, but it is obviously more than a linear effect. The reason for this result is that the regions of the catalyst pore exposed to the highest reactant concentrations do not contribute proportionately to the overall reaction rate because they have suffered a disproportionate loss of activity when pore-mouth poisoning takes place. 

This equation gives the differential yield of V for a porous catalyst at a point in a reactor. For equal combined diffusivities and the case where hT approaches zero (no diffusional limitations on the reaction rate), this equation reduces to equation 9.3.8, since the ratio of the hyperbolic tangent terms becomes y/k2 A/ki v As hT increases from about 0.3 to about 2.0, the selectivity of the catalyst falls off continuously. The selectivity remains essentially constant when both hyperbolic tangent terms approach unity. This situation corresponds td low effectiveness factors and, in tliis case, equation 12.3.149 becomes... 

The concentration dependence of z/l vs. c/c0 is plotted in Figure 11.14a. It can be seen that from a Thiele modulus cp > 3 the educt does not reach the internal part of the pore. The inner part of the pore system is useless for catalysis. This is especially relevant if expensive metals serve as active components on a porous carrier, which are then wasted. There are chances to master this diffusion limitation, which will be discussed later in detail. Another important variable is the efficiency factor tj. The efficiency factor r is defined as the quotient of the speed of reaction rs to the maximal possible speed of reaction rsmax. r is related to q> as the quotient of the hyperbolic tangent of the Thiele modulus qy. 

In this expression A and Q are distance dispersion resulting from electron-vibrational coupling, and frequency tensor (assumed identical in reactant and product states), respectively (work of formation of precursor and successor states is omitted). If we assume that the frequency tensor is diagonal, then we have simply a sum of independent terms for all inner and outer contributing modes. At sufficiently high temperature, the hyperbolic tangents become unity and we obtain the usual (in this approximation) high-temperature expression ... 

The first work on pKa determination by zone electrophoresis using paper strips was described by Waldron-Edward in 1965 (15). Also, Kiso et al. in 1968 showed the relationship between pH, mobility, and p/C, using a hyperbolic tangent function (16). Unfortunately, these methods had not been widely accepted because of the manual operation and lower reproducibility of the paper electrophoresis format. The automated capillary electrophoresis (CE) instrument allows rapid and accurate pKa determination. Beckers et al. showed that thermodynamic pATt, (pATf) and absolute ionic mobility values of several monovalent weak acids were determined accurately using effective mobility and activity at two pH points (17). Cai et al. reported pKa values of two monovalent weak bases and p-aminobenzoic acid (18). Cleveland et al. established the thermodynamic pKa determination method using nonlinear regression analysis for monovalent compounds (19). We derived the general equation and applied it to multivalent compounds (20). Until then, there were many reports on pKa determination by CE for cephalosporins (21), sulfonated azo-dyes (22), ropinirole and its impurities (23), cyto-kinins (24), and so on. 

Before training the net, the transfer functions of the neurons must be established. Here, different assays can be made (as detailed in the previous sections), but most often the hyperbolic tangent function tansig function in Table 5.1) is selected for the hidden layer. We set the linear transfer function purelin in Table 5.1) for the output layer. In all cases the output function was the identity function i.e. no further operations were made on the net signal given by the transfer function). 

Figure 1.8 shows the variation of the dimensionless axial velocity on the flow axis ((y/R = 0) along the radial direction. This variation can be approximately represented by the hyperbolic tangent function below ... 

At large values of the Thiele moduli 3, the hyperbolic tangent approaches unity, and eq 169 then may be rewritten in a simplified form ... 

Other sigmoidal functions, such as the hyperbolic tangent function, are also commonly used. Finally, Radial Basis Function neural networks, to be described later, use a symmetric function, typically a Gaussian function. 

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