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Foundations bond strength

A theoretical foundation for understanding these correlations is found in the calculated bulk electronic structures of the first- and second-row TMS. The electronic environment of the metal surrounded by six sulfur atoms in an octahedral configuration was calculated, using the hypotheses that all the sulfides could be represented by this symmetry as an approximation. There are several electronic factors that appear to be related to catalytic activity the orbital occupation of the HOMO (Highest Occupied Molecular Orbital), the degree of covalency of the metal-sulfur bond, and the metal-sulfur bond strength. These factors were incorporated into an activity parameter (A2), which correlates well with the periodic trends (Fig. 16) (74, 75). This parameter is equal to the product of the number of electrons contained in the... [Pg.206]

Much of the information on such trends is described in Engelhardt and Michel (1987). The early studies by Smith and Blackwell (1983) and Ramdas and Klinowski (1984). Early studies also suggested correlations of shift with Si-0 distance, but this seems to mainly be associated with the trend with polymerization, although some small dependence may still remain. Some studies have indicated a correlation of the shift with the sum of bond strengths to the four O s of a given silicate tetrahedron (Smith et al. 1983), but this is also clearly related to the polymerization trend. As noted by Kirkpatrick (1988), an empirical correlation of an parameter with a structural or bond parameter does not necessarily imply a cause and effect relationship. One of the main values of quantum mechanical calculations lies in their ability to test such empirical relationships to more deeply understand their foundation. [Pg.443]

Gurau et al. published a comprehensive study of binary, ternary and quaternary eatalysts for methanol oxidation consisting of Pt, Ru, Ir and Os [122], The theoretieal foundation for this work has been the metal-carbon and metal-oxygen bond strength. Pt and Ir are forming strong bonds with carbon, while Ru and Os are both oxophilic. Furthermore, it was found that flie best eatalysts are Arose that maximize the content of Ru, Os and Ir in the fee Pt phase based on solubility limits. XPS spectra showed that the catalyst surfaces were enriched with Ru, Os and Ir present either as oxide or hydrous oxide species [122]. [Pg.198]

MountDuris, G., Silikas. N., and Eliades, G. (2004) Effect of sodium hypochlorite treatment on the molecular composition and morphology of human coronal dentin. /. Adhes. Dent, 6 (3), 175—182. Oook, S. et oL (2004) Influence of polymerization mode of dual-polymerized resin direct core foundation systems on bond strengths to bovine dentin. [Pg.172]

Carbon/Aramid Fiber Sheet Jacketing Method. The application of carbon/aramid fiber sheet for the reinforcement of concrete pier is adopted when restricted conditions are present on site, such as no permit of sectional increase due to clearance limit or weight increase on the foundation. The sheet in longitudinal direction is effective to increase the flexural strength and the sheet in transverse direction acts as lateral reinforcement to raise the shear strength. Particularly the fiber sheet is concentrically bonded at the termination of longitudinal rebar at the mid-height. [Pg.210]


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See also in sourсe #XX -- [ Pg.360 , Pg.361 ]




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