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Ternary distribution function

The distance, at which this difference varies from zero, defines the range of correlation. In the case of a simultaneous interaction among three atoms, the probability of their existence in spatce elements dVi, dVi, dVj at distances ri, ft, fa is defined by a ternary distribution function. 7 3(ri,r2,r3) ... [Pg.166]

The expression for the pair (n = 2) distribution function in three (d = 3) dimension is well known [1,2]. However, the general one for any n and d is much less known. Interestingly, the distribution of Fermi particles in one d = 1) dimension has a mathematical structure similar to those found for the eigenvalues of the random matrices [3-5] and for the zeros of the Riemann zeta function [6,7], as shown below. In the following Sects. 14.2 and 14.3, explicit expressions for the pair and ternary distribution functions of the ideal Fermi gas system in any dimension are derived. We then find an expression for the n-particle distribution function as a determinant form in Sect. 14.4. Another representation for the multiparticle distribution for finite IV is given in terms of density matrix in Sect. 14.5. The explicit formula for correlation kernel which plays an essential role for the description of the multiparticle correlations in the Fermi system is derived in Sect. 14.6. The relationship with the theories for the random matrices and the Riemann zeta function is addressed in Sect. 14.7. [Pg.250]

In Eq. 14.41, the singular terms associated with the self-correlation are included in the higher-order contributions with respect to 1/N. Removing the irrelevant 5 (pa -b pb -b Pc) factor that is ascribed to the symmetrization of coordinates, we And the form of the ternary distribution function of ideal Fermi gas as... [Pg.256]

Results. The theory of ternary processes in collision-induced absorption was pioneered by van Kranendonk [402, 400]. He has pointed out the strong cancellations of the contributions arising from the density-dependent part of the pair distribution function (the intermolecular force effect ) and the destructive interference effect of three-body complexes ( cancellation effect ) that leads to a certain feebleness of the theoretical estimates of ternary effects. [Pg.222]

Early numerical estimates of ternary moments [402] were based on the empirical exp-4 induced dipole model typical of collision-induced absorption in the fundamental band, which we will consider in Chapter 6, and hard-sphere interaction potentials. While the main conclusions are at least qualitatively supported by more detailed calculations, significant quantitative differences are observed that are related to three improvements that have been possible in recent work [296] improved interaction potentials the quantum corrections of the distribution functions and new, accurate induced dipole functions. The force effect is by no means always positive, nor is it always stronger than the cancellation effect. [Pg.222]

Another method suggested by the authors for predicting the solubility of gases and large molecules such as the proteins, drugs and other biomolecules in a mixed solvent is based on the Kirkwood-Buff theory of solutions [18]. This theory connects the macroscopic properties of solutions, such as the isothermal compressibility, the derivatives of the chemical potentials with respect to the concentration and the partial molar volumes to their microscopic characteristics in the form of spatial integrals involving the radial distribution function. This theory allowed one to extract some microscopic characteristics of mixtures from measurable thermodynamic quantities. The present authors employed the Kirkwood-Buff theory of solution to obtain expressions for the derivatives of the activity coefficients in ternary [19] and multicomponent [20] mixtures with respect to the mole fractions. These expressions for the derivatives of the activity coefficients were used to predict the solubilities of various solutes in aqueous mixed solvents, namely ... [Pg.188]

Diverse investigations of the miscellaneous ternary systems Sn-Pb-Cd, Sn-Ga-In, Sn-Sb-Bi, " Pb-In-Sb, and Pb-Bi-Hg have been undertaken by a number of Russian authors. It was concluded from the results of an ultrasonic study of Sn-Pb-Cd liquid solutions that intermetallic compounds are not formed in this system. Thermodynamic analysis of the Sn-Sb-Bi system shows both positive and negative deviations from ideality in the liquid state.Finally, interpretation of the atomic distribution functions of Pb-In-Sb solutions has led to the conclusion that the melts have a microheterogeneous structure in the fusion... [Pg.257]

Studies on the complex between the elongation factor EF-Tu. GTP (M 46,000 Rq 2.5 nm) with aminoacylated tRNA (nucleotides 24,500) benefit from the closer similarity in size of the two components [379-381]. X-ray titrations show that a 1 1 complex is formed, and the Rq of 3.6 nm and the distance distribution functions suggested that an extended complex is formed [380]. Subsequent neutron studies have, however, proposed that EF-Tu exists in a monomer-dimer equilibrium. The Rq values of 2.0 nm for monomeric EF-Tu, 2.3 nm for aminoacylated tRNA, and 2.6 nm for the ternary complex have led to the alternative proposition of a compact structure for this complex [381]. [Pg.236]

The atomic sizes of the constituent elements in the ternary R-Al-M amorphous alloys differ significantly. Therefore, the interpretation of the total radial distribution function (RDf) obtained by the ordinary X-ray diffraction method is complicated, and it is extremely hard to obtain structural parameters for each independent pair of elements. By using the anomalous X-ray scattering (AXS) method with which the structural environment around a particular constituent element can be determined, it is expected that this difference is observed and the structural environment around Ni in the amorphous La55Al25Ni2o alloy is estimated in as-quenched, annealed (in the supercooled liquid region) and crystallized states. From these systematic AXS measurements, the structural changes due to crystallization were discussed. [Pg.191]

For homopolymer A/homopolymer B/diblock copolymer AB/solvent system, six distribution functions were needed [70,267] to describe the mixture two for the two homopolymers A and B, and four for the copolymer. However, the expressions for the mean-field simplified to two functions [267] if the volume fractions of the homopolymer and the respective block of the copolymer were added together. The mean-field expressions then reduce to those for a ternary system homopolymer A/homopolymer B/solvent [211, 283]. The assumption was made that the part of the copolymer that does not localize itself at the interface will be randomly distributed in the bulk of the homopolymers. [Pg.181]

FIGURE 6 The effect ofan addition of NaCI in the binary water-gelatin and water-BSA system on the intensity-size distribution functions of the ternary water-gelatin (0.25 wt%)-BSA (0.25 wt%) system, obtained by mixing of the binary salt solutions of gelatin and BSA . [Pg.364]

Figure 3.3-7 Ethanol/water/[BMIM][PF5] ternary phase diagram (a, left) and solute distribution in EtOH/water/IL mixtures (b, right) for [BMIMJiPEe] (O), [HMIMJiPFe] ( ), and [OMIMJiPFe] (V) as a function of initial mole fraction of ethanol in the aqueous phase, measured at 25 °C. From references [47, 48]. Figure 3.3-7 Ethanol/water/[BMIM][PF5] ternary phase diagram (a, left) and solute distribution in EtOH/water/IL mixtures (b, right) for [BMIMJiPEe] (O), [HMIMJiPFe] ( ), and [OMIMJiPFe] (V) as a function of initial mole fraction of ethanol in the aqueous phase, measured at 25 °C. From references [47, 48].
The solid curves in the figure represent the molecular weight dependence of r)0 for quasi-binary system consisting of a fractionated xanthan sample and 0.1 mol/1 aqueous NaCl. The circles for quasi-ternary solutions almost follow them at the same c, except at small 2. Thus, to a first approximation, r)o of stiff polymer solutions is independent of molecular weight distribution, and may be treated as a function of Mw or Mv and c. [Pg.139]

Fig. 23. Ternary blend containing two homopolymers A and B and a symmetric AB diblock copolymer within the bond fluctuation model. All chains have identical length, N = 32. (a) Probability distribution at e = 0.054 and system size 48 x 48 x 96 in units of the lattice spacing (i e = 17). Upon increasing the chemical potential S/j of the copolymers the valley becomes shallower, indicating that the copolymers decrease the interfacial tension. One clearly observes a plateau around (f> = 1/2. This assures, that our system size is large enough to neglect interfacial interactions in the measurement of the interfacial tension, (b) Average number of copolymers as a function of the composition. The copolymer number is enhanced in the configuration containing two interfaces. From Muller and Schick [105]... Fig. 23. Ternary blend containing two homopolymers A and B and a symmetric AB diblock copolymer within the bond fluctuation model. All chains have identical length, N = 32. (a) Probability distribution at e = 0.054 and system size 48 x 48 x 96 in units of the lattice spacing (i e = 17). Upon increasing the chemical potential S/j of the copolymers the valley becomes shallower, indicating that the copolymers decrease the interfacial tension. One clearly observes a plateau around (f> = 1/2. This assures, that our system size is large enough to neglect interfacial interactions in the measurement of the interfacial tension, (b) Average number of copolymers as a function of the composition. The copolymer number is enhanced in the configuration containing two interfaces. From Muller and Schick [105]...
Spin-lattice relaxation has been studied by Cu NMR for dilute Cu-Mn and Cu-Cr alloys at temperatures of 0.32-20K while the NMR lines in deformed Cu alloys with Si, A1 and Ga were investigated as a function of plastic deformation. Variations in Cu Knight shifts in Cu-Zn alloys have been reported. Spectra from NMR experiments performed on binary Cu-Au ordered alloys and martensitic ternary Au-Cu-Zn alloys in order to study crystallographic Cu sites microscopically have revealed different distributions of Cu atoms that change appreciably with Cu content. [Pg.278]

Extensive calculations were reported in refs. 110 and 112 for a wide variety of configurations of active sites (monomers, dimers, triplets, quartets, hexamers, and various — binary and ternary — combinations) distributed on a finite lattice of hexagonal symmetry (overall 48 different configurations), and the efficiency of the underlying diffusion-reaction process studied as a function of the concentration Cj of reaction centers, the discretized length k (ref. 110), and the statistical parameter 5 (ref. 112). Also reported in ref. 112 were values of Si for each configuration. [Pg.376]


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See also in sourсe #XX -- [ Pg.166 ]




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