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Properties characterizing atoms

It is not easy to see why the authors believe that the success of orbital calculations should lead one to think that the most profound characterization of the properties of atoms implies such an importance to quantum numbers as they are claiming. As is well known in quantum chemistry, successful mathematical modeling may be achieved via any number of types of basis functions such as plane waves. Similarly, it would be a mistake to infer that the terms characterizing such plane wave expansions are of crucial importance in characterizing the behavior of atoms. [Pg.136]

With the above-described heat transfer model and rapid solidification kinetic model, along with the related process parameters and thermophysical properties of atomization gases (Tables 2.6 and 2.7) and metals/alloys (Tables 2.8,2.9,2.10 and 2.11), the 2-D distributions of transient droplet temperatures, cooling rates, achievable undercoolings, and solid fractions in the spray can be calculated, once the initial droplet sizes, temperatures, and velocities are established by the modeling of the atomization stage, as discussed in the previous subsection. For the implementation of the heat transfer model and the rapid solidification kinetic model, finite difference methods or finite element methods may be used. To characterize the entire size distribution of droplets, some specific droplet sizes (forexample,.D0 16,Z>05, andZ)0 84) are to be considered in the calculations of the 2-D motion, cooling and solidification histories. [Pg.374]

We shall prepare the various building blocks of the catalyst surface and study them separately. Then we put the parts together and the resultant structure should have all of the properties of the working catalyst particle. Just as in the case of synthetic insulin or the B12 molecule, the proof that the synthesis was successful is in the identical performance of the synthesized and natural products. Our building blocks are crystal surfaces with well-characterized atomic surface structure and composition. Cutting these crystals in various directions permits us to vary their surface structure systematically and to study the chemical reactivity associated with each surface structure. If we do it properly, all of the surface sites and microstructures with unique chemical activity can be identified this way. Then, by preparing a surface where all of these sites are simultaneously present in the correct configurations and concentrations the chemical behavior of the catalyst particle can be reproduced. The real value of this synthetic approach is that ultimately one should be able to synthesize a catalyst that is much more selective since we build into it only the desirable active sites in a controlled manner. [Pg.4]

The atomic properties constitute the weights used to characterize molecule atoms the most common atomic properties are atomic mass, - atomic charge, -> van der Waals radius, -> atomic polarizability, and hydrophobic atomic constants. Atomic properties can also be defined by the - local vertex invariants (LOVIs) derived from graph therory. [Pg.304]

To characterize atom spatial-eneigy properties two types of P-parameters are introduced. The bond between them is a simple one ... [Pg.137]

One of the fundamental properties of atomic nuclei is nuclear spin. Each nucleus is characterized by a spin quantum number, I, and a magnetogyric ratio, y. There are 2/ + 1 nuclear spin states for each nucleus with energies given by ... [Pg.26]

P2(z) is the polarization in the transition layer and P3 is the polarization in the bulk of the transparent isotropic substrate. The y axis is chosen to be perpendicular to the plane of incidence. Since the polarization vector components P2j z) and P j are proportional to the same electric field components of the incident wave, the parameters jj do not depend on the amplitude of the external exciting field. Being calculated in the zeroth order in d / A, they do not depend on the wavelength of the light. These quantities therefore characterize the optical properties of the transient layer to first order in d / A. They are determined by the relative difference between the mean local field in the layer and the local field in the bulk medium. Therefore, Eqs (3.57) and (3.58) predict deviations from the two-phase Fresnel formulae even when there are no perturbations in the selvedge region, i.e., the surface is clean and the optical properties of atoms nearby the surface are identical with those in the bulk. [Pg.68]

The four quantum numbers that characterize an electron in an atom have now been considered. There is an important rule, called the Pauli exclusion principle, that relates to these numbers. It requires that no two dectrons in an atom can have the same set of four quantum numbers. This principle was first stated in 1925 by Wolfgang Pauli (1900-1958), a colleague of Bohr, again to make theory consistent with the properties of atoms. [Pg.167]

To admit that Mendeleev s elements have no physical existence does not mean that they are metaphysical entities. Despite their abstract nature, elements are material and not ideal entities, and they are characterized by a quantitative property, their atomic weights, accessible through experiment. They belong to what Mendeleev termed the solid ground of positive science . [Pg.160]


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