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State of the art results

Satellite astronomical observations remove the problems of the atmospheric absorption windows but require more sophisticated orbital spacecraft. Telescopes mounted on aircraft in part can achieve better results but state-of-the-art results are obtained from orbiting satellites. Probably the most successful satellite telescope for public... [Pg.55]

Undoubtedly, the most general conclusion to be drawn from this overview of recent TDDFT calculations on transition-metal complexes is that this technique, compared to other available theoretical methods, provides state-of-the-art results for excitation energies. We stress that in order for this to be a valid statement, there are two points that should receive due attention the applied functional, and the geometry of the system. [Pg.108]

Keyword ZnO-based structure, methods, state of the art result Refe. [Pg.345]

The use of colloidal metallic nanoclusters deposited onto solid substrates can provide a higher degree of control over the SPs spectral properties state-of-the-art results in the chemical synthesis showed, in fact, the possibility to grow nano-objects with high uniformity and low size dispersion [36-38], This can allow to fabricate extended substrates, in which the local morphology, and thus the resulting MEF effect, can be controlled with good precision [19, 39], As a counterpart, still some randomness is unavoidable in this approach, since it is not simple to define the position of the nanoclusters on the substrate with micrometer precision to realize, for instance, ordered arrays of metallic particles. [Pg.420]

In Figure 5, we present a comparison of our preferred values for the ethylene second virial coefficient with comparable state of the art results obtained by Douslin and Harrison (2). The experimental method and data analysis used by Douslin are independent from ours. In Douslin s experiment, all of the variables required for the calculation of the compressibility factor are measured, whereas in the Burnett method only two variables are measured. Aslo, in this experiment the same sample of gas is retained for the entire experiment in the Burnett isothermal method, the sample is changed for each sequence of measurements. Furthermore,... [Pg.303]

To be realistic, it is impossible to give a full outline of each of the topics Hsted above, as the complexity of each single topic can be enormous, as is obvious from the extensive literature available. Therefore, only the main aspects with respect to state-of-the-art results on fuel cells wiU be considered here. It should also be kept in mind that for a complete fuel cell very different material classes are examined - from polymers to metals and even to ceramics. Each of these classes is found in a modern polymer fuel cell, and having either a functional (active) or structural (passive) role polymers as the main... [Pg.521]

In this book, an internationally known team of researchers publish state-of-the-art results that detail the application of synthetic, petroleum-based polymers in the form of carbon fibers, carbon nanotubes and fibers, and micro- and nanofibrils as reinforcements for polymer composites. These organic materials are distinct from polymer composites with mineral reinforcement due to specific mechanical properties that allow the manufacture of lightweight products, of particular importance in aircrafts and transportation vehicles. [Pg.798]

Densities of states (DOS) and partial densities of states were obtained using the relatively coarse mesh in /c-space that was used in the self-consistency process the data of the n/4a cubic mesh (89 points in the irreducible wedge of the zone) were linearly interpolated to obtain the body-centered point of the subcube. With use of this body-centered point, the cube was then broken up into 12 tetrahedra and standard linear tetrahedron analyses were applied to determine the contribution of each of these tetrahedra. Clearly such an approach does not give state-of-the-art results for the density of states but, since all final results will be compared using a broadening factor, it is quite adequate. [Pg.211]

Figure C3.5.6 compares the result of this ansatz to the numerical result from the Wiener-Kliintchine theorem. They agree well and the ansatz exliibits the expected exponential energy-gap law (VER rate decreases exponentially with Q). The ansatz was used to detennine the VER rate with no quantum correction Q= 1), with the Bader-Beme hannonic correction [61] and with a correction based [83, M] on Egelstaff s method [62]. The Egelstaff corrected results were within a factor of five of experiment, whereas other corrections were off by orders of magnitude. This calculation represents the present state of the art in computing VER rates in such difficult systems, inasmuch as the authors used only a model potential and no adjustable parameters. However the ansatz procedure is clearly not extendible to polyatomic molecules or to diatomic molecules in polyatomic solvents. Figure C3.5.6 compares the result of this ansatz to the numerical result from the Wiener-Kliintchine theorem. They agree well and the ansatz exliibits the expected exponential energy-gap law (VER rate decreases exponentially with Q). The ansatz was used to detennine the VER rate with no quantum correction Q= 1), with the Bader-Beme hannonic correction [61] and with a correction based [83, M] on Egelstaff s method [62]. The Egelstaff corrected results were within a factor of five of experiment, whereas other corrections were off by orders of magnitude. This calculation represents the present state of the art in computing VER rates in such difficult systems, inasmuch as the authors used only a model potential and no adjustable parameters. However the ansatz procedure is clearly not extendible to polyatomic molecules or to diatomic molecules in polyatomic solvents.
The resultant corrections to the SCF picture are therefore quite large when measured in kcal/mole. For example, the differences AE between the true (state-of-the-art quantum chemical calculation) energies of interaction among the four electrons in Be and the SCF mean-field estimates of these interactions are given in the table shown below in eV (recall that 1 eV = 23.06 kcal/mole). [Pg.232]

Work began in the 1930s on the development of flame-retardant cottons based on chemical systems that either reacted directly with the ceUulosic substrate, or polymerized on or in the cotton fiber. A serious effort in this direction, mounted from the 1950s through the 1970s, resulted in most of the state-of-the-art flame-retardant finishes for cotton available. [Pg.485]

The state-of-the-art i -Si H films (Table 3) are deposited at the rate of 1—3 A/s with the gas utilization rate on the order of 15%. Larger gas utilization rates, hence larger deposition rates, usually result in inferior properties than those indicated in Table 3. Increasing the deposition rate by merely increasing the power leads to dust formation. The use of higher excitation frequency can lead to deposition rates in excess of 15 A/s and still give relatively good film properties (7). [Pg.358]

A.ssessmentofUNIFy C. UNIFAC is a method to predict the activity of binary Hquid solutions in the absence of all data except stmctural information. Because state-of-the-art real fluid estimation methods are empirical or semi-empirical, the use of more data results in improved activity estimation. [Pg.252]

Few mechanisms of liquid/liquid reactions have been established, although some related work such as on droplet sizes and power input has been done. Small contents of surface-ac tive and other impurities in reactants of commercial quality can distort a reac tor s predicted performance. Diffusivities in liquids are comparatively low, a factor of 10 less than in gases, so it is probable in most industrial examples that they are diffusion controllech One consequence is that L/L reactions may not be as temperature sensitive as ordinary chemical reactions, although the effec t of temperature rise on viscosity and droplet size can result in substantial rate increases. L/L reac tions will exhibit behavior of homogeneous reactions only when they are very slow, nonionic reactions being the most likely ones. On the whole, in the present state of the art, the design of L/L reactors must depend on scale-up from laboratoiy or pilot plant work. [Pg.2116]

Analysts The above is a formidable barrier. Analysts must use limited and uncertain measurements to operate and control the plant and understand the internal process. Multiple interpretations can result from analyzing hmited, sparse, suboptimal data. Both intuitive and complex algorithmic analysis methods add bias. Expert and artificial iutefligence systems may ultimately be developed to recognize and handle all of these hmitations during the model development. However, the current state-of-the-art requires the intervention of skilled analysts to draw accurate conclusions about plant operation. [Pg.2550]

By the early 1930s, thermal cracking had achieved a fairly high level of operation. Both the Dubbs (UOP) and Tube-and-Tank (Jersey Standard) Processes represented the state of the art in the field. Between the end of World War I, when the Burton Process was still revolutionary, and the early 1930s, octane ratings of gasoline increased 36 percent. This improvement resulted from the existence of more advanced thermal plants and the increasing use of additives, espe-... [Pg.990]

The aim of this chapter is to give a state-of-the-art report on the plastic solar cells based on conjugated polymers. Results from other organic solar cells like pristine fullerene cells [7, 8], dye-sensitized liquid electrolyte [9], or solid state polymer electrolyte cells [10], pure dye cells [11, 12], or small molecule cells [13], mostly based on heterojunctions between phthaocyanines and perylenes [14], will not be discussed. Extensive literature exists on the fabrication of solar cells based on small molecular dyes with donor-acceptor systems (see for example [2, 3] and references therein). [Pg.271]


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