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Model: mechanical, 180 static

Finally, it deserves to be mentioned that considerable numbers of models of static friction based on continuum mechanics and asperity contact were proposed in the literature. For instance, the friction at individual asperity was calculated, and the total force of friction was then obtained through a statistical sum-up [35]. In the majority of such models, however, the friction on individual asperity was estimated in terms of a phenomenal shear stress without involving the origin of friction. [Pg.184]

A recent theoretical study has nicely addressed the question of mechanism on the silicon surface. Minary and Tuckerman carried out an ab initio molecular dynamics (MD) study of the [4 + 2] cycloaddition reaction on Si(100)-2 x 1 [251]. Because the previously reported ab initio DFT models were static , these were not able to address in detail the mechanisms by which the [4 + 2] product was formed. The results of the MD study indicate that rather than being concerted, the dominant mechanism is a stepwise zwitterionic process in which an initial nucleophilic attack of one of the C=C bonds by the down atom of the dimer leads to a carbocation. This carbocation exists for up to 1-2 ps, stabilized by resonance, and depending on which positively charged carbon atom reacts with which Si surface atom, can form... [Pg.360]

Mercury is the electrode material of choice for many electrochemical reductions and some unique oxidations (see Chap. 14). We have explored the use of both small mercury pools and amalgamated gold disks in thin-layer amperometry. Other workers have used pools in a capillary tube [7] and amalgamated platinum wire [8]. In 1979, Princeton Applied Research introduced a unique approach based on their model 303 static mercury drop electrode (see Sec. II.F). Our laboratories and MacCrehan et al. [9] have focused on the use of amalgamated gold disks. This approach results in an inexpensive, easily prepared, and mechanically rigid electrode that can be used in conventional thin-layer cells (Sec. II.C) of the type manufactured by Bioanalytical Systems. [Pg.817]

Studies of electron solvation are popular with chemical physicists largely due to the perceived simplicity of the problem. The latter notion rests upon the mental picture of the solvated electron as a single quantum mechanical particle confined in a classical potential well a particle in a box. This picture was first suggested by Ogg in 1946 and subsequently elaborated by Cohen, Rice, Platzmann, Jortner, Castner, and many others. First such models were static, but... [Pg.74]

The role of computer modelling in the science of complex solids including microporous materials was surveyed in Faraday Discussion 106 held in 1997. These techniques have now an increasingly predictive role. They can, for example, predict new microporous structures, design templates for their synthesis and model the static and dynamical behaviour of sorbed molecules within their pores,a topic of enduring importance and one of particular interest to Barrer. Computer modelling methods are, of course, most effective when used in a complementary manner with other physical techniques. Ref. 6 nicely illustrates this theme. Here EXAFS and quantum mechanical methods are used in a concerted manner to elucidate the structure of the active site in microporous titanosilicate catalysts. Articles in Faraday Discussions, vol. 106 again illustrate the complementarity of computational and experimental techniques. [Pg.340]

A.V Vakhrouchev, Modeling of static and dynamic processes of nanoparticles interaction , CD-ROM Proceeding of the 21-th international congress of theoretical and applied mechanics, ID12054, Warsaw, Poland, 2004. [Pg.278]

More detailed information on motion within the Cig chains, at least the timescales that are relevant, are obtained by C NMR relaxation studies [5p]. Several C NMR studies of Cig-derivatized silicas and other n-alkyl analogs have been reported [5n,p,37] Even more detail on the motion can be obtained by wide line H NMR spectroscopy (a technique that does not have high resolution) on Cig-silica samples in which deuterium has been selectively substituted for protons [50]. In this approach, the line-narrowing effects of motion on the broad, quadrupole-based H NMR linewidth of a mechanically static sample is modeled theoretically for specific trial motions to elucidate the detailed nature of the motion. As an example. Figure 34.32 shows experimental H spectra, and the corresponding theoretical simulation for a dry sample of (l-d2)-Ci8-silica as a function of temperature. From the theoretical simulations, based on trial... [Pg.442]

Abe K (1973) Tsunami and mechanism of great earthquakes. Phys Earth Planet In 7 143-153 Andrews DJ (1976) Rupture velocity of plane strain shear cracks. J Geophys Res 81 5679-5687 Andrews DJ (1980) A stochastic fault model 1. Static case. [Pg.715]

There has been considerable interest in the mechanisms of the a — /3 transition, and this has been modeled for static and dynamic measurements [58-60], X-ray diffraction patterns and infrared (IR) and Raman spectra show specific changes through this a—>/3 transition [42-44,61-63], The stress and strain dependence of the molar fraction of the / -form, X, increases drastically above the critical stress / the fraction is almost linearly proportional to the strain the transition is reversible the stress-strain curve has a plateau of the critical stress /, i.e., the curve is divided into three regions the elastic deformation of the a-phase (0-4% strain), the a — /3 transition (plateau region 4-12% strain), and the elastic deformation of the /3-phase (> 12% strain). These experimental results indicate that this stress-induced phase transition is a thermodynamic first-order transition. [Pg.451]

MECHANICAL EQUIPMENT Fans Number Type or Model Manufacturer Diameter, ft. Number of Blades Fan Speed, RPM Tip Speed, FPM BHP per fan, driver output Blade Material Hub Material Total Static Pressure, in. HjO Velocity Pressure, in. H2O Air Delivery per Fan, ACFM Fan Static Efficiency ... [Pg.420]

The main results of this miero-mechanical model in the quasi-static regime have been compared with experimental results obtained by placing polystyrene (PS)-polyvinyl pyridine (PVP) diblock copolymers with a short PVP block between PS and PVP homopolymers. The fracture toughness was found to increase linearly with E from that of the bare PS/PVP interface, while the slope of the line increased with the degree of polymerization of the block being pulled out. If the data for the different copolymers were plotted as AG vs. (where... [Pg.226]

It has been a persistent characteristic of shock-compression science that the first-order picture of the processes yields readily to solution whereas second-order descriptions fail to confirm material models. For example, the high-pressure, pressure-volume relations and equation-of-state data yield pressure values close to that expected at a given volume compression. Mechanical yielding behavior is observed to follow behaviors that can be modeled on concepts developed to describe solids under less severe loadings. Phase transformations are observed to occur at pressures reasonably close to those obtained in static compression. [Pg.51]

Thermodynamic, statistical This discipline tries to compute macroscopic properties of materials from more basic structures of matter. These properties are not necessarily static properties as in conventional mechanics. The problems in statistical thermodynamics fall into two categories. First it involves the study of the structure of phenomenological frameworks and the interrelations among observable macroscopic quantities. The secondary category involves the calculations of the actual values of phenomenology parameters such as viscosity or phase transition temperatures from more microscopic parameters. With this technique, understanding general relations requires only a model specified by fairly broad and abstract conditions. Realistically detailed models are not needed to un-... [Pg.644]

Based on the limitations of using human subjects, simple alternative in vitro models were developed to investigate mechanisms involved in the intestinal absorption process of a compound of interest and to screen the relative bioavailability of a compound from various food matrices. However, the data generated from in vitro approaches must be taken with caution because they are obtained under relatively simplified and static conditions compared to dynamic physiological in vivo conditions. Indeed, the overall bioavailability of a compound is the result of several complex steps that are influenced by many factors including factors present in the gastrointestinal lumen and intestinal cells as described later. Nevertheless, these in vitro approaches are useful tools for guiding further smdies in humans. [Pg.152]


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