Species, defined

The total partition function may be approximated to the product of the partition function for each contribution to the heat capacity, that from the translational energy for atomic species, and translation plus rotation plus vibration for the diatomic and more complex species. Defining the partition function, PF, tlrrough the equation... 

Based on the collation of the theoretical and experimental results, two distinct NO activation pathways can then be proposed. The oxidative adsorption, giving rise to the bound NO8 species, defines a nitroside pathway of activation, while the reductive adsorption leading to NOs+ species is tantamount with a nitrosonium pathway of activation (Figure 2.17). 

The h-pH diagrams of surface oxidation of arsenopyrite and pyrite are shown in Fig. 2.16 and Fig. 2.17, respectively. Figure 2.16 shows that jBh-pH area of self-induced collectorless flotation of arsenopyrite is close to the area forming sulphur. The reactions producing elemental sulphur determine the lower limit potential of flotation. The reactions producing thiosulphate and other hydrophilic species define the upper limit of potential. In acid solutions arsenopyrite demonstrates wider potential region for collectorless flotation, but almost non-floatable in alkaline environment. It suggests that the hydrophobic entity is metastable elemental sulphur. However, in alkaline solutions, the presence of... 

Modifier D is used to show the mass number of the atom being considered, this being the total number of neutrons and protons considered to be present in the nucleus. The number of protons defines the element, but the number of neutrons in atoms of a given element may vary. Any atomic species defined by specific values of atomic number and mass number is termed a nuclide. Atoms of the same element but with difierent atomic masses are termed isotopes, and the mass number can be used to designate specific isotopes. 

The endo- or exothermicity of this reaction will be taken as a probe of the aromaticity of the molecule of interest. There is an encouragingly large collection of species defined by their individual ordered triple of X, Y, and Z (XV) (e.g., if X and Y are different, then the species defined by X, Y, and Z is not the same as that defined by Y, X, and Z). 

The terminology used here includes, therefore, three types of speciation based on species defined functionally, operationally or as specific chemical compounds or oxidation states. 

The inclusion of activity coefficients into the simple equations was briefly considered by Purlee (1959) but his discussion fails to draw attention to the distinction between the transfer effect and the activity coefficient (y) which expresses the non-ideal concentration-dependence of the activity of solute species (defined relative to a standard state having the properties of the infinitely dilute solution in a given solvent). This solvent isotope effect on activity coefficients y is a much less important problem than the transfer effect, at least for fairly dilute solutions. For example, we have already mentioned (Section IA) that the nearequality of the dielectric constants of H20 and D20 ensures that mean activity coefficients y of electrolytes are almost the same in the two solvents over the concentration range in which the Debye-Hiickel limiting law applies. For 0-05 m solutions of HC1 the difference is within 0-1% and thus entirely negligible in the present context. Of course, more sizeable differences appear if concentrations are based on the molality scale (Gary et ah, 1964a) (see Section IA). 

In mineralogy, the same terms are used, but with different meaning. The holotype of a mineral species is the specimen from which the characterizing data was obtained, such as unit cell dimensions and shape, chemical formula, etc. Type specimens rarely exist for species defined before 1800. Since most modem analytical methods are, at least in part, destructive, sometimes the only existing sample is destroyed or processed in order to obtain the data needed to define a new species. 

EXCHANGE MASTER SPECIES defines the interrelation between the name of an exchanger and its master species. Based on this, EXCHANGE SPECIES describes a half-reaction and requires a selectivity coefficient for each exchanger species. In contrast to stability constants or dissociation constants, these selectivity coefficients are dependent on the respective solid phase with the specific features of their inner and outer surfaces (see also chapter 1.1.4.2). Therefore, within thermodynamically data collections they are only to be seen as placeholders that have to be changed according to site specific exchange constants. 

SURFACE MASTER SPECIES defines analogously the interrelation between the name of surface binding sites and the surface master species, whereas SURFACE SPECIES describes reactions for any surface species sorted by cations and anions as well as by strongly and weakly bound partners. 

The shortcut STRG+T opens a fist of the species defined in the dataset, STRG+H a list of the minerals and gases. Marking a species or phase and pressing ENTER transfers the desired species or phase into the input file. 

Lines beginning with are only commends, e.g. each first line of the species defined in the block SOLUTIONSPECIES. 

SOLUTION SPECIES define solution species tritium... 

Chemical reductions123 in THF solutions have produced several crystalline reduced species (Table 14). The best available explanation of these species defines them as Mn11 compounds of radical anion ligands, either bipy- (for the first three) or bipy2- for the Na salt. The magnetism of the compounds containing bipy" is an interesting theoretical problem. 

Vibrations of totally symmetric species (defined by the first row of the character tables) emit Raman lines which are polarized, the depolarization ratio pk can assume, according to Eqs. 2.4-11. .. 13 values of 0 < p < 6/7. All other Raman-active vibrations are emitting lines which are depolarized, they have a depolarization ratio of 6/7. The value 6/7 is appropriate for an arrangement, where the Raman radiation s investigated without an analyzer. If an analyzer is used 3/4 has to be taken instead. Cubic and icosahedral point groups are a special case the depolarization ratio for totally symmetric vibrations is 0. 

Fig. 8L Cyclic voltammogram for monolayer adsorption and desorption of species formed by charge transfer, v = O.J V/s, = 230 [iC/cm. The value of the parameter f = tiRT of the Frumkin isotherm is shown on each cuiye. is the standard potential for an adsorbed species, defined as the potential at (QI(1 - 0j) = 1.0 and C = 1, for the Langmuir isotherm

The equilibrium constants are related to the thermodynamic Gibb s free energy in the regular manner ksTlnKn = AG ° = Af/ - TASj, where kg is Boltzmann s constant and T is the temperature, and ideal mixing (no volume change) is assumed. The chemical equilibrium constants can also be written in terms of the activities of the different species, defined in terms of the chemical potential, of specie k, as a/ expi/hJkgT). Thus, at equilibrium... 

Hancock s (1977, p. 12) discussion of chronometry drew attention to Oppel s careful, precise rock-layer measurements and fossil collecting in establishing a method by which the record of irreversible evolution of life on earth could be documented. Hancock (1977, p. 12) pointed out that Oppel s complete work was published in the same year that Alfred Russell Wallace and Charles Robert Darwin read their joint paper to the Linnean Society of London, On the Tendency of Species to Form Varieties, and on the Perpetuation of Varieties and Species by Natural Means of Selection. Hancock (1977, p. 12) commented that Oppel himself remarked that the more accurately the fossils are examined and species defined, the greater the number of zonal divisions that could be recognized. ... 

The reference level is defined by the composition of a pure solution of HA in H2O (/ = 0 [ANC] = 0), which is defined by the proton condition, [H l = [A-] -i- [OH ]. (In this and subsequent equations, the charge type of the eicid is unimportant the equation defining the net proton excess or deficiency can always be derived from a combination of the concentration condition and the condition of electroneutrality.) Thus in a solution containing a mixture of HA and NaA, [ANC] is a conservative capacity parameter. It must be expressed in concentrations (and not activities). Addition of HA (a species defining the reference level) does not change the proton deficiency and thus does not affect [ANC]. 

As mentioned before, ajc refers to the ionization fraction of the species that has lost X protons from the most protonated acid species / defines the equivalence points, the point at the lowest pH being / =0.)... 

Specific adsorption is an important adsorption mechanism for trace substances in water, but not for major ionic species. Define specific adsorption and explain this statement with examples. 

Parr and Pearson introduced the concept [10-13] of the absolute hardness ( y) of a species defined as half the negative rate at which its electronegativity change with a change in its electron population at constant potential ... 

In these equations 6i is the surface coverage of the i-th species defined from ... 

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