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Internally consistent data sets

Holland T. J. B. and Powell R. (1998) An internally consistent data set for phases of petrological interest. J. Metamorph. Geol. 16, 309-343. [Pg.1488]

Although innumerable possibilities exist for errors in sampling of this sort, and it is very difficult, if not impossible, to determine in situ formation conditions, the data presented and discussed (Table I) represent 2in internally consistent data set. [Pg.54]

Therefore, a prototype of a digitized version of a thermodynamic sorption database has been implemented as a relational database with MS Access RES T -Rossendorf Expert System for Surface and Sorption Thermodynamics . It is mineral-specific and can therefore also be used for additive models of more complex solid phases such as rocks or soils. An integrated user interface helps users to access selected mineral and sorption data, to extract internally consistent data sets for sorption modelling, and to export them into formats suitable for other modelling software. [Pg.91]

A warning The addition of any aqueous species and their data to this internally consistent data base can result in a modified data set, which is no longer rigorous and can lead to erroneous results. The situation is similar when gases or solids are added. [Pg.40]

Thus it is concluded that for assemblies of the type used here, lap-shear and blister detachment test methods produce sets of internally consistent data which correlate in a statistically acceptable manner. The choice of test procedure, therefore, may rest on convenience and on the proven relevance of test results to field performance. [Pg.353]

Fig. 1 shows a plot of -logK against -logKj. Included are points also for phenol and p-cresol where the Kx values were obtained by spectrophotometry. Minor corrections have been applied to the latter values, so that these and the potentiometrically obtained values would constitute a set of internally consistent data. [Pg.351]

Mathematical Consistency Requirements. Theoretical equations provide a method by which a data set s internal consistency can be tested or missing data can be derived from known values of related properties. The abiUty of data to fit a proven model may also provide insight into whether that data behaves correctiy and follows expected trends. For example, poor fit of vapor pressure versus temperature data to a generally accepted correlating equation could indicate systematic data error or bias. A simple sermlogarithmic form, (eg, the Antoine equation, eq. 8), has been shown to apply to most organic Hquids, so substantial deviation from this model might indicate a problem. Many other simple thermodynamics relations can provide useful data tests (1—5,18,21). [Pg.236]

Figure 11.1. A flow-model scheme for treating the protein routing question. Labels refer to flow rates of carbon. The total carbon flux, into and out of the body, is 1, divided into F (for protein) and 1 - F for the remainder. The significant relevant internal fluxes are between the amino acid pool (coupled to the body protein pool), and the energy metabolism pool . The extent to which protein routing is observable in the body protein composition depends on the value ofX (See Fig. 11.2). Numbers in refer to suggested isotopic fractionations associated with a metabolic path, which are consistent with the data of the Ambrose and Norr (1993) and Tieszen and Fagre (1993) data set (see Section 4.1). Figure 11.1. A flow-model scheme for treating the protein routing question. Labels refer to flow rates of carbon. The total carbon flux, into and out of the body, is 1, divided into F (for protein) and 1 - F for the remainder. The significant relevant internal fluxes are between the amino acid pool (coupled to the body protein pool), and the energy metabolism pool . The extent to which protein routing is observable in the body protein composition depends on the value ofX (See Fig. 11.2). Numbers in refer to suggested isotopic fractionations associated with a metabolic path, which are consistent with the data of the Ambrose and Norr (1993) and Tieszen and Fagre (1993) data set (see Section 4.1).
Averaging of symmetry-equivalent and multiply measured reflections was performed using AVSORT [8]. Fifteen ooe and eeo reflections were considered unobserved (/ < o) and the remaining data set consists of 128 unique reflections with an internal consistency R. , (F2) = 0.0064. [Pg.222]

A second data set (CU97, 1535 reflections of all parities, 0 < (sin )/ 1.3 h, k, l > 0 and h, k, l < 0) was recorded in continuous scan mode (i.e. the detector was read out during the co -moves). This scan mode accelerated the data acquisition and enhanced the accuracy of the derived integral intensities. Averaging of these data yielded 120 reflections with an internal consistency RJ[F2) = 0.0038. [Pg.222]

There are a plethora of criteria that should be applied to ensure that the experimentally determined parameters provide a true reflection of the physical interactions that they represent. However, if the data are to be credible they must demonstrate an internal consistency. The equilibrium dissociation constant should, for example, be the same if it has been determined from equilibrium saturation assays or by calculation from the appropriate kinetic constants if it is not, this implies that the physical characteristics of the interaction are outside the criteria for which the equations have been developed, i.e., those rehearsed in Section 2.7. Statistical comparison of data sets must also be carefully assessed here the availability of the powerful computation facilities available on most laboratory desks has taken much of the drudgery out of such analysis. [Pg.273]

Thermodynamic data on amphibole end-members are mostly derived from phase equilibria, because of the difficulty of synthesizing pure components for direct calorimetric investigation. Table 5.49 lists existing values for some pure components. Most data come from the internally consistent set of Holland and Powell... [Pg.311]

Tables 6.13 and 6.14 list sets of internally consistent thermodynamic data for crystalline and liquid components, for use in equations 6.79 to 81. Although equations 6.80 and 6.81 are simply based on the Clausius-Clapeyron approach, Ghi-orso et al. (1983) use a semiempirical formulation for the volume of melt components. Its development is... Tables 6.13 and 6.14 list sets of internally consistent thermodynamic data for crystalline and liquid components, for use in equations 6.79 to 81. Although equations 6.80 and 6.81 are simply based on the Clausius-Clapeyron approach, Ghi-orso et al. (1983) use a semiempirical formulation for the volume of melt components. Its development is...
Parameters describing a particular thermodynamic equilibrium system are derived from experimental quantities obtained by a variety of methods, for example, calorimetry, potentio-metry, and solubility studies. In the ideal case, critical examination of well-studied systems reveals high-quality experimental data that lead to a unique set of thermodynamic constants, which are internally consistent, not only formally, but also from a chemical point of view. In the course of our reviews, however, we encountered several cases of conflicting experimental data that resisted any attempt to cast them into a unique set of thermodynamic parameters. The following summarizes the conflicting data and our pragmatic solutions. [Pg.568]


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