Thermodynamic properties listed

The standard state adopted for ions in aqueous solution is an ideal solution of unit molality. The values of thermodynamic properties listed are based on the assumption that the values for H in such a solution are 2ero. 

Note that in both the heating and cooling modes, the heat pump in thi.s illustration has a lower coefficient of performance (and therefore lower efficiency) than a reverse Carnot cycle operating between the same temperatures. Finally, it should be mentioned that the thermodynamic properties listed above were obtained from a detailed thennody-naniic properties table for HFC-134a, akin to the steam tables for water in. < ppendix A.Ill values cannot be obtained from Fig. 3.3-4 to this level of accuracy. ffl... 

Poly(butylene terephthalate), PBT, is the next member of the homologous series of polyterephthalates with its thermodynamic properties listed in Fig. 6.40. Figine 6.45 presents the crystallinity for a semicrystalline, melt-crystallized PBT sample, calculated with the method of Fig. 4.80, Eq. (3). Below the glass transition, the crystallinity reaches 36.2%. With this crystallinity function, the expected heat capacity without latent heat effects is given in Fig. 6.46. 

Calculate the ideal solubility (y = 1) of NaCl, KCl, and NH4CI in water at 25 "C with the help of the standard thermodynamic properties listed in Table 8.1. What are the solubilities when the deviation from ideal behavior is taken into account using the LIQUAC model. 

To calculate the thermodynamic properties listed above, it is sufficient to consider a spatially uniform system in which the order parameter value is spatially invariant. This means that the spatial derivative terms in the Landau free-energy density, which are important for the calculation of fluctuation phenomena as shown in the next section, can be neglected for the present purpose. Therefore, from Eq. [42] we get... 

Solution. Figure 4.15 and the thermodynamic properties listed in Example 4.13 are also appropriate for this example. The actual enthalpy at the exit of the main expander is... 

DESCRIPTIONS AND LISTINGS OF SUBROUTINES FOR CALCULATION OF THERMODYNAMIC PROPERTIES... 

For cubic crystals, which iaclude sUicon, properties described by other than a zero- or a second-rank tensor are anisotropic (17). Thus, ia principle, whether or not a particular property is anisotropic can be predicted. There are some properties, however, for which the tensor rank is not known. In addition, ia very thin crystal sections, the crystal may have two-dimensional characteristics and exhibit a different symmetry from the bulk, three-dimensional crystal (18). Table 4 is a listing of various isotropic and anisotropic sUicon properties. Table 5 gives values for the more common physical properties and for some of the thermodynamic properties. Figure 5 shows some thermal properties. 

Values for the free energy and enthalpy of formation, entropy, and ideal gas heat capacity of carbon monoxide as a function of temperature are listed in Table 2 (1). Thermodynamic properties have been reported from 70—300 K at pressures from 0.1—30 MPa (1—300 atm) (8,9) and from 0.1—120 MPa (1—1200 atm) (10). 

Important thermodynamic properties that relate to the structure and stability of the chalcogen ailotropes and their polyatomic cations are the formation enthalpies listed in Table 2. Only reliable experimentally or quantum chemically established numbers have been included. From Table 2 it is evident that tellurium is the least investigated with respect to the entries thus, there is clearly space for more thorough experimental or quantum chemical work in this direction. Therefore, we have assessed the missing Te data from the IP determination in ref. 12 (PE spectroscopy) and ref. 13 (quantum chemical calculations) and have put them in the table in parentheses, although it is clear that the associated error bars are relatively high. The data in ref. 14 were not considered. 

A listing of thermodynamic properties determined by a full range of methods enables the ArG° values to be determined and hence the allowed reactions and equilibrium constants for all reactions. A tabulation of some thermodynamic quantities is found in Appendix C. 

In marked contrast to the n-alkanes, the cycloalkanes exhibit thermodynamic properties where such regularities are no longer present. Heats of formation (AH ) for a substantial number of cycloalkanes are available from heats of combustion. With the exception of cyclohexane, AH°f is always more positive than the quantity — 4.926n. The difference between the two quantities leads to a quantitative assessment of the important notion of ring strain. The AH -values and strain energy data listed in Table 1 were taken from Skinner and Pilcher (1963). Other references give different but usually comparable... 

The list of 145 references at the end of this chapter has been collected to help those looking for numerical values of thermodynamic properties of aqueous solutions for industrial applications. The emphasis has been primarily on items published since 1964, although a few older ones of special utility have been included. 

Correlation of thermodynamic properties of non-electrolytes including aqueous systems. Listing of computer programs given. 

D. D. Wagman, The NBS tables of chemical thermodynamic properties, J. Phys. Chem. Ref. Data 11, Supplement No. 2, (1982), pp. 2-7, pp. 2-14. Similar data can also be found listed by compound at http //webbook.nist.gov/chemistry/, the Chemistry WebBook of the National Institute of Science and Technology. 

Methylammonium chloride exits in several crystalline forms, as is evident from Figure 11.3. The thermodynamic properties of the (3 and 7 forms have been investigated by Aston and Ziemer [10] down to temperatures near 0 K. Some of their data are listed below. From the information given, calculate the enthalpy of transition from the (3 to the 7 form at 220.4 K. 

Generally, several alternative methods of choosing the groups exist into which a specified molecule is resolved. In the Anderson-Beyer-Watson-Yoneda approach, the thermodynamic properties in the ideal gaseous state are estimated by considering a given compound as built up from a base group (such as one of those listed in... 

The chemical, biological, and physical characteristics of the drug substance can be manipulated and hence optimized by conversion to a salt form. Every compound that exhibits acid or base characteristics can participate in salt formation. Various salts of the same compound often behave quite differently because of the physical, chemical, and thermodynamic properties they impart to the parent compound. Table 1 lists the top ten FDA approved commercially marketed final drug forms and Table 2... 

Discrete values of the HKF model parameters for various organic aqueous species are listed in table 8.22. Table 8.23 lists standard partial molal thermodynamic properties and HKF model parameters for aqueous metal complexes of monovalent organic acid ligands, after Shock and Koretsky (1995). 

In table 9.14, for the sake of completion, we list the thermodynamic parameters of the HKF model concerning neutral molecules in solution (Shock et al., 1989). Calculation of partial molal properties of solutes (see section 8.11), combined with calculation of thermodynamic properties in gaseous phases (Table 9.5), allows rigorous estimates of the various equilibrium constants at all P and T of interest. 

Physical Properties, Carbonyl sulfide [463-58-1] (carbon oxysulfide), COS, is a colorless gas that is ododess when pure however, it has been described as having a foul odor. Physical constants and thermodynamic properties are listed in Table 1 (17,18). The vapor pressure has been fitted to an equation, and a detailed study has been made of the phase equilibria of the carbonyl sulfide—propane system, which is important in the purification of propane fuel (19,20). Carbonyl sulfide can be adsorbed on molecular sieves (qv) as a means for removal from propane (21). This approach has been compared to the use of various solvents and reagents (22). 

Physical Properties. Sulfuryl chloride [7791 -25-5], S02C12> is a colodess to light yellow liquid with a pungent odor. Physical and thermodynamic properties are listed in Table 7. Sulfuryl chloride dissolves sulfur dioxide, bromine, iodine, and ferric chloride. Various quaternary alkylammonium salts dissolve in sulfuryl chloride to produce highly conductive solutions. Sulfuryl chloride is miscible with acetic acid and ether but not with hexane (193,194). 

Physical Properties. Sulfur dioxide [7446-09-5], S02, is a colodess gas with a characteristic pungent, choking odor. Its physical and thermodynamic properties are listed in Table 8. Heat capacity, vapor pressure, heat of vaporization, density, surface tension, viscosity, thermal conductivity, heat of formation, and free energy of formation as functions of temperature are available (213), as is a detailed discussion of the sulfur dioxide—water system (215). 

In addition to Eqs. (126) and (127), the other necessary thermodynamic properties of HgTe(s) and CdTe(s) are given in Table VII. The enthalpy of fusion for CdTe(s) is based upon a single determination by Kulwicki (1963). The -rich eutectics listed are from Kulwicki for CdTe and from Strauss (1967) for HgTe. 

The pentahalides of niobium and tantalum are predominantly covalent. Their volatility decreases from the fluorides to the iodides. Nb and Ta belong to the few elements which form stable pentaiodides. Selected physical and thermodynamic properties for the halides are listed in Table 2. All are sensitive to moist air, water or hydroxylic solvents. 

In specifying rate constants in a reaction mechanism, it is common to give the forward rate constants parameterized as in Eq. 9.83 for every reaction, and temperature-dependent fits to the thermochemical properties of each species in the mechanism. Reverse rate constants are not given explicitly but are calculated from the equilibrium constant, as outlined above. This approach has at least two advantages. First, if the forward and reverse rate constants for reaction i were both explicitly specified, their ratio (via the expressions above) would implicitly imply the net thermochemistry of the reaction. Care would need to be taken to ensure that the net thermochemistry implied by all reactions in a complicated mechanism were internally self-consistent, which is necessary but by no means ensured. Second, for large reaction sets it is more concise to specify the rate coefficients for only the forward reactions and the temperature-dependent thermodynamic properties of each species, rather than listing rate coefficients for both the forward and reverse reactions. Nonetheless, both approaches to describing the reverse-reaction kinetics are used by practitioners. 

A tabulation of all the available physical constants of TNT, with refs, was published in 1952 (Ref 23). Included are thermodynamic and crystallographic data, solubilities, and factors affecting chemical stability. Of the 57 properties listed, 28 were selected as most important, and the best values are cited. Another useful compilation of physical properties appeared in 1971 (Ref 43), but with limited refs a revised edition is scheduled for about 1980. Both of these reports are limited in distribution, as is a data manual published in England (Ref 18). Compilations of physical and other properties appeared in 1972 (Ref 51) this report has unlimited availability... 

A report on the ideal gas thermodynamic properties of sulfur heterocyclic compounds lists data on tetrahydrothio-pyran and 5,6-dihydrothiopyran <1995MI1351>. 

A new thermodynamic model for the Cu(I,II)-HC1-H20 system was developed on the basis of the representative data on GuGl(s) solubility in aqueous solutions of HC1 in a concentration interval from 1 to 6 mol kg1 HG1 (Akinfiev, 2009). The model takes into account a number of aqueous Cu(I) species [Cu+, CuOH°, Cu(OH)2, CuC1°, CuClj, HCuCL ], aqueous Cu(II) species [Cu2 CuOH+, CuO°, HCuO , CuOJ- CuCl+, CuCL , GuGlg, CuClJ)] and a mixed Cu(I)/Cu(II) chloride aqueous complex, Cu2Cl . The thermodynamic approach used a modelling approach based on i) the standard thermodynamic properties of the listed above species ii) a model for the activity coefficients iii) use of HCh software (Shvarov, 1999). 

The discussion of each salt includes both qualitative and quantitative information, what is known of its behavior above ambient temperature, and quantitative data phase transitions, densities, and thermodynamic properties. When possible, high temperature properties, enthalpies and entropies at 298.15 K and above, are listed. When these are available, they are used to calculate equilibrium constants and partial pressures of the component gases. (For a discussion of this topic... 

These methods were used in this work when necessary. However, in many cases the equilibrium constants could be calculated by a computer program developed by Outukompu Research, which uses data stored in their program. These data are usually the most recent available. References used in this program are listed below. When data above 298 K were not available, data at 298 K are given. These are taken from Wagman, D. D. Evans, W. H. Parker, V. B. Schumm, R. H. Halow, I. Bailey, S. M. Chumey, K. L. and Nuttall, R. L., The NBS tables of chemical thermodynamic properties, J. Phys. Chem. Reference Data 11, Suppl. 2, 1982... 

As pointed out above, perchlorates are thermodynamically unstable even at ambient temperature so that calculations are not useful in predicting the actual behavior of the salt. Thermodynamic properties of only a few salts have been listed by HSC above 298 K, and these are reproduced in this work, but no calculations have been done for reactions. Thermodynamic data at 298.15 K are given1 under each element. 

---