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Structure formation assuming

Formation of Benzal- Acetone Structures. Formation of a peroxy group at C-5 (oxidation of structure lid) leads to ring opening between C-4 and C-5 and to formation of benzal acetone structures, which are assumed to be the possible source of the obtained degradation products (acetone and acid V, respectively, w-propyl methyl ketone and acid VI). [Pg.181]

For angle deformation, by analogy, Vg = k A6), etc. This assumption is clearly valid only for small displacements and cannot be used to model the rupture of a chemical bond. A Morse potential would be more appropriate in such application. To model the formation of a bond, an even more complicated potential, that takes activation effects into account, is required. However, most applications, known as molecular mechanics are less ambitious and have as their final objective only the modelling of the three-dimensional molecular structure. It assumes that the strain in a molecule is made up of the sums for various modes of distortion, e.g. ... [Pg.206]

Based on the general considerations, we assume that the fractal structure formation is due to the similarity of macroscopic, submacroscopic and microscopic formation conditions (in the thermodynamic point of view, so as that is applicable to microscopic level). That means that the thermodynamic equations describing the macroscopic system are valid (or approximately valid) for each of its macroscopic, submacroscopic and microscopic parts, e.g., if the structure of several species is formed under the condition of maximum entropy (macroscopic structure), the same condition of maximum entropy should stay valid in all parts of the same species (submacroscopic structure). If the process of material formation is carried out in steady-state, all submacroscopic elements of the structure should be described as steady-state. [Pg.40]

The processes of adsorption, precipitation and coprecipitation are difficult to distinguish on that basis from the analysis of the diminution of the ions from the solution, changes of pH and kinetics. Only the spectroscopic investigations of the molecular interactions between adsorbent and adsorbate may help to distinguish a type of the process [146,147]. As an adsorption of the ions, is assumed process of the two-dimensional structure formation, whereas for three-dimensional structures precipitation or surface precipitation takes place. From this reason an AFM method may be useful at investigations of the morphology changes of the adsorbate surface [147]. [Pg.180]

The second mechanism, first proposed by van Olphen (8,11-14), assumed structure formation in bentonite gel to be due to edge-to-flat surface asssociation of the plate-like particles as a result of electrostatic attraction between the oppositely charged double layers at the surface. This so-called "house of cards structure" is likely to occur provided the pH of the suspension is below the isoelectric point of the edges, which are then positive and become attracted to the negatively charged faces. [Pg.40]

At the same time it was assumed that interaction of the amino groups of the silane should act as additional adhesion promotor to the polyimide surface. The use of the y-aminopropyl methyl triethoxy silane together with diepoxides (Araldite GY 266) did not improve the brittleness remarkably. The use of AMDES, however, should lead to less brittle systems due to the only two-dimensional crosslinking ability of the diethoxy silane. The basic structure formation features are given in Fig. 10. [Pg.745]

Historically, the first reports of porous silicon layers were by Uhlir [59] and Turner [60]. These authors reported on the electropolishing of silicon and noted that under certain conditions a porous layer was formed at the silicon surface. The first models for porous layer formation assumed that the layer was formed on the silicon substrate by a deposition process thought to involve the reduction of divalent silicon to amorphous Si via a disproportionation reaction in solution [61]. Subsequently, Theunissen [62] showed that the porous structure was the result of a selective etching process within the silicon, contradicting the silicon deposition model. [Pg.83]

Nucleation is a crucial step in the whole process of carbonaceous particle formation. According to Frenklach and Wang (1990, 1994), nucleation is controlled mainly by the sticking of PAH sheets during their collisions. Physically bound clusters of PAH are then formed and successively evolve toward aerosol, solid particles and crystallites. As shown in Fig. 25, different polycyclic aromatic layers can form more or less regularly ordered graphite structures, all of which have interlayer distances of about 0.35 nm. These two to four-layer structures are assumed as the threshold of the formation of the solid phase particle inception typically takes place at molecular masses of 1,000-2,000 amu. [Pg.122]

The discovery of both DNA secondary-structure formation within the NHE nil region of the c-myc promoter and proteins that bind specifically to the cytosine-rich strand, guanine-rich strand, or the duplex of the same region has led to a model of how the NHE IIIi controls c-myc expression (Figure 6). The model suggests the presence of three different DNA structural populations within the NHE IIIi two that cause activation and one that results in repression of c-myc transcription. First, when the NHE IIIi assumes a normal... [Pg.194]

Figure 13.5 illustrates in detail the calculated cohesive energy and its components for the 3d and 4d transition metals. The experimental value of metal density and fee structure were assumed by calculations. For each element the contributions from atomic preparation, renormalization, conduction-band formation, and d band broadening plus s-d hybridization are indicated from left to right. The final calculated cohesive energy is represented by the filled block, while the experimental value is marked by the open block. [Pg.197]


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