Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Forms of Generating Functions

We mention finally that instead of including the element symbols into the dummy variable t, they can be stand-alone with a different name. We redefine the abundance generating function for carbon C as [Pg.359]

Here we have used rather a chemical notation. Previously we have used lower case letters for the variables. Here and are individual variables, such as H or D. Then the abundance generating function for acetylene A looks like [Pg.359]

Further, they can appear also as exponential generating function, Eq. (12.19). In the case of distributions, the moment generating function is [Pg.359]

Both functions have corresponding integral forms. Also generating functions with several arguments are permissible and useful. [Pg.360]

So for the number average of the degree of polymerization in terms of the moment generating function is [Pg.361]


In the case of classic chemical kinetics equations, one can get in a few cases analytical solution for the set of differential equations in the form of explicit expressions for the number or weight fractions of i-mcrs (cf. also treatment of distribution of an ideal hyperbranched polymer). Alternatively, the distribution is stored in the form of generating functions from which the moments of the distribution can be extracted. In the latter case, when the rate constant is not directly proportional to number of unreacted functional groups, or the mass action law are not obeyed, Monte-Carlo simulation techniques can be used (cf. e.g. [2,3,47-52]). This technique was also used for simulation of distribution of hyperbranched polymers [21, 51, 52],... [Pg.129]

A paper in the same journal [PolG36b] elaborated on isomer enumeration and the corresponding asymptotic results. Here the functional equations for the generating functions for four kinds of rooted trees were presented without proof. They were, in a slightly different notation, formulae (8), (4), and (7) in the introduction to Polya s main paper, and one form of the functional equation for the generating function for rooted trees. From these results a number of asymptotic formulae were derived. These results were all incorporated into the main paper. [Pg.100]

The previous discussion only applies when a -function for a system exists and this situation is described as a pure ensemble. It is a holistic ensemble that cannot be generated by a combination of other distinct ensembles. It is much more common to deal with systems for which maximum information about the initial state is not available in the form of a -function. As in the classical case it then becomes necessary to represent the initial state by means of a mixed ensemble of systems with distinct -functions, and hence in distinct quantum-mechanical states. [Pg.452]

Jadcson and co-workers (92) have used a variant of the method of generating functions to obtain moments of the MWD for the product from a perfectly-stirred continuous tank reactor. In its simplest form, this method consists in setting up a function (the generating function ) of a dummy variable, u say, having a power series expansion near u — 0 in which the coefficient of k" is the concentration of n-mer in more elaborate forms of the method, other dummy... [Pg.28]

Thus we recover the precise form of the function y = f(x) which generated the rate equation by differentiation. Thus the processes of differentiation and integration have a reciprocal relationship and can be considered to represent the reverse of one another in the sense shown in Figure 3.3. [Pg.14]

The existence of the correspondence between the external potential in which the electrons move and their density (the first Hohenberg-Kohn theorem21) makes it possible to define the total energy functional. It is denoted here by EHK[p. The analytic form of the functional EHK[p] is not known except for its two components V[p - the energy of the interaction with external potential vext (the potential generated by nuclear charges is used as an example below) and J[p] - Coulomb... [Pg.4]

We can say a good deal about the most elementary properties of an exchange-correlation functional by an examination of some of the integral constraints on the densities arising from many-electron wavefunctions. Basically, the normalisation constraints on the wavefunction and its associated one- and two-particle densities generate normalisation conditions on the conditional probability distributions which are involved in the definition of the exchange-correlation functional and these conditions place rather severe constraints on the form of any functional. [Pg.368]

That is, what is required is nothing less than the form of a functional G[p x) which generates, from the one-electron density p x), the values of the kinetic energy lT p(x), say) and the non-Coulomb part of the electron-repulsion energy (Exc[p x), say) the exchange-correlation energy. [Pg.744]

Hj are the number of particles of type j in the system, is a rate constant, and hj is the rate at which the number is changing. The rate constant is a known quantity. We form the generating function... [Pg.364]

The average mole masses are obtained if another type of generating function is formed. Substitute... [Pg.457]

The use of generating functions in the field of condensation polymers is more established than in the field of polymerization. Even Flory used generating functions when he modified power series by forming the derivative, but he did not address... [Pg.460]

We form a generating function for the Wiener index of linear molecules as... [Pg.551]

The expression (1.24) allows obtaining the distribution function of relaxation times for all empirical laws (1.23). In Fig. 1.9, we show the relaxation time distribution functions, obtained in Ref. [31] with the help of Eq. (1.24). The distribution functions have been obtained for the laws of Cole-Cole k = 0.2), Davidson-Cole (P = 0.6) and Havriliak-Nagami at a = 0.42 when it corresponds to KWW law. It is seen that only C-C law leads to symmetric dishibution function while DC and KWW laws correspond to essentially asymmetric one. The physical mechanisms responsible for different forms of distribution functions in the disordered ferroelechics had been considered in Ref. [32]. It has been shown that random electric field in the disordered systems alters the relaxational barriers so that the distribution of the field results in the barriers distribution, which in turn generates the distribution of relaxation times. Nonlinear contributions of random field are responsible for the functions asymmetry, while the linear contribution gives only symmetric C-C function. [Pg.22]

NMD A receptors are selectively activated by A/-methyl-D-aspartate (NMD A) (182). NMD A receptor activation also requires glycine or other co-agonist occupation of an allosteric site. NMDAR-1, -2A, -2B, -2C, and -2D are the five NMD A receptor subunits known. Two forms of NMDAR-1 are generated by alternative splicing. NMDAR-1 proteins form homomeric ionotropic receptors in expression systems and may do so m situ in the CNS. Functional responses, however, are markedly augmented by co-expression of a NMDAR-2 and NMDAR-1 subunits. The kinetic and pharmacological properties of the NMD A receptor are influenced by the particular subunit composition. [Pg.551]


See other pages where Forms of Generating Functions is mentioned: [Pg.359]    [Pg.359]    [Pg.361]    [Pg.363]    [Pg.359]    [Pg.359]    [Pg.361]    [Pg.363]    [Pg.59]    [Pg.172]    [Pg.305]    [Pg.4]    [Pg.351]    [Pg.179]    [Pg.121]    [Pg.296]    [Pg.169]    [Pg.11]    [Pg.55]    [Pg.318]    [Pg.21]    [Pg.191]    [Pg.3436]    [Pg.502]    [Pg.761]    [Pg.556]    [Pg.21]    [Pg.273]    [Pg.401]    [Pg.52]    [Pg.200]    [Pg.269]    [Pg.189]    [Pg.61]    [Pg.509]    [Pg.2397]    [Pg.1]    [Pg.331]    [Pg.12]   


SEARCH



Form function

Functional form

Generating functionals

© 2024 chempedia.info