Volume 32, Issue 2, June 2003
Index of content:
Thermodynamics of Chlorinated Phenols, Polychlorinated Dibenzo- p -Dioxins, Polychlorinated Dibenzofurans, Derived Radicals, and Intermediate Species32(2003); http://dx.doi.org/10.1063/1.1521164View Description Hide Description
The thermodynamics of 31 chlorinated phenols, polychlorinated dibenzo-p-dioxins, polychlorinated dibenzofurans, and some chlorinated compounds have been calculated. Twelve of these species are radicals. Additionally the thermodynamic properties of temperature dependent tables of the ideal gas phase thermodynamic properties are listed, together with recommended values for the structure, vibrational frequencies, and enthalpy of formation either found in the literature or calculated.
32(2003); http://dx.doi.org/10.1063/1.1529214View Description Hide Description
A compendium of vaporizationenthalpies published within the period 1910–2002 is reported. A brief review of temperature adjustments of vaporizationenthalpies from temperature of measurement to the standard reference temperature, 298.15 K, is included as are recently suggested reference materials. Vaporizationenthalpies are included for organic, organo-metallic, and a few inorganic compounds. This compendium is the third in a series focusing on phase changeenthalpies. Previous compendia focused on fusion and sublimationenthalpies. Sufficient data are presently available for many compounds that thermodynamic cycles can be constructed to evaluate the reliability of the measurements. A protocol for doing so is described.
32(2003); http://dx.doi.org/10.1063/1.1547435View Description Hide Description
The structural, spectroscopic, and thermochemicalproperties of three polyatomic molecules with internal rotation— and —have been reviewed. Three revised ideal gas thermodynamic tables result from this critical examination. The revisions involved the consideration of new spectroscopic information and the use of theoretical results to model the internal rotation in the molecule. Compared to previous calculations, the entropies at 298.15 K are unchanged for and but the high temperature values are significantly different. As for its thermodynamic functions differ significantly from values calculated earlier.
Henry’s Constants and Vapor–Liquid Distribution Constants for Gaseous Solutes in and at High Temperatures32(2003); http://dx.doi.org/10.1063/1.1564818View Description Hide Description
We have developed correlations for the Henry’s constant and the vapor–liquid distribution constant for 14 solutes in and seven solutes in The solutes considered are common gases that might be encountered in geochemistry or the power industry. Solubility data from the literature were critically assessed and reduced to the appropriate thermodynamic quantities, making use of corrections for nonideality in the vapor and liquid phases as best they could be computed. While the correlations presented here cover the entire range of temperatures from near the freezing point of the solvent to high temperatures approaching its critical point, the main emphasis is on representation of the high-temperature behavior, making use of asymptotic relationships that constrain the temperature dependence of and near the critical point of the solvent.
Erratum: “Doppler Broadening and its Contribution to Compton Energy-Absorption Cross Sections: An Analysis of the Compton Component in Terms of Mass-Energy Absorption Coefficient” [J. Phys. Chem. Ref. Data 31, 769 (2002)]32(2003); http://dx.doi.org/10.1063/1.1563263View Description Hide Description
32(2003); http://dx.doi.org/10.1063/1.1576759View Description Hide Description