Thermodynamic properties hydrides

Thermodynamic. Thermodynamic properties of Pu metal, gaseous species, and the aqueous ions at 298 K are given in Table 8. Thermodynamic properties of elemental Pu (44), of alloys (68), and of the gaseous ions Pu", PuO", PuO" 27 PuO 2 (67) have been reviewed, as have those of aqueous ions (64), oxides (69), haUdes (70), hydrides (71), and most other compounds (65). 

Thermodynamic properties related to R3SiH can also be obtained from the hydride-affinities of RsSi" ". The following thermochemical cycle (cf. Scheme... 

Metal hydrides that have a linear dependence of In P vs 1/T can be used in chemical heat pump systems. General equations were developed to relate the thermodynamic variables of the hydrides to the chemical heat pump operating temperatures. A series of hydrides with variable thermodynamic properties were prepared from alloys of composition LaNi5-x Alx (x = 0-1.5). 

There have been numerous experimental as well as theoretical studies dealing with the structural and thermochemical properties of cationic silicon hydrides, Si Hm+ , and a detailed discussion of these species would certainly exceed the limited space available. We will therefore confine ourselves to the discussion of only a few exemplary cases. For further information on Si-ion thermochemistry the reader is referred to several reviews on the experimental2-4 as well as computational5 determination of thermodynamic properties of silicon-containing ions. 

Thermodynamic Properties of Fullerene Hydrides C60H2n and Equilibria of Their Reactions... 

The most effective way for investigation of thermodynamic properties for fullerene hydrides is a combination of the experimental methods, the quantum-chemical calculation of molecular characteristics, the statistical thermodynamic calculation of thermodynamic... 

The obtained values of the thermodynamic properties (Table 4.1) are not sufficient for the detailed thermodynamic analysis of equilibria with participation of C60H36 in wide temperature ranges. The thermodynamic properties are not available for the other hydrides. So, it seems reasonable to calculate them based on the molecular and spectral data. 

Equations 4.2 and 4.3 are simplified for C60H2n because internal rotation does not occur in these molecules. As it was demonstrated for the C60 fullerene, the electronic contributions to its thermodynamic properties may be neglected at T < 1,000 K (Diky and Kabo 2000). The same is expected for fullerene hydrides. 

Thermodynamic Properties of FuUerene Hydrides and Equilibria of Their Reactions 75... 

Thermodynamic Properties of Fullerene Hydrides and Equilibria of Their Reactions 81 Table 4.13 Thermodynamic characteristics of reaction (4.16) with C cr)... 

Comprehensive investigation of thermodynamic properties for fullerene hydrides is actual for optimization of the conditions of their synthesis, chemical functionalization, justification of their technical application. The structure, spectra, isomeric compositions for the samples of fullerene hydrides seriously affect their thermodynamic properties. So, the thermodynamic investigations will favor solution of many theoretical problems of chemistry and physics of fullerene hydrides. Taking into account the difficulties in synthesis and separation of individual fullerene hydrides of high purity, one should suppose that the theoretical evaluation of their physicochemical properties is the most effective tool for their investigation. 

Table 4 Thermodynamic properties of a- and JS-forms of aluminum hydride, kilocalorie/mole...

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