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Dec 2006

Volume 35, Issue 4, pp. 1461-1809


Recommended Critical Pressures. Part I. Aliphatic Hydrocarbons

Iwona Owczarek and Krystyna Blazej

J. Phys. Chem. Ref. Data 35, 1461 (2006); http://dx.doi.org/10.1063/1.2201061 (14 pages) | Cited 2 times

Online Publication Date: 18 September 2006

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This study presents 95 recommended experimental and 180 calculated values of critical pressures for saturated and unsaturated aliphatic hydrocarbons. This is the third article in a series dealing with recommended critical data for organic compounds. Previously critically evaluated data on normal boiling temperatures based on recommended experimental data base is also given in this study.
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05.70.Jk Critical point phenomena
64.70.F- Liquid-vapor transitions

Physical Properties of Ionic Liquids: Database and Evaluation

Suojiang Zhang, Ning Sun, Xuezhong He, Xingmei Lu, and Xiangping Zhang

J. Phys. Chem. Ref. Data 35, 1475 (2006); http://dx.doi.org/10.1063/1.2204959 (43 pages) | Cited 104 times

Online Publication Date: 10 October 2006

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A comprehensive database on physical properties of ionic liquids (ILs), which was collected from 109 kinds of literature sources in the period from 1984 through 2004, has been presented. There are 1680 pieces of data on the physical properties for 588 available ILs, from which 276 kinds of cations and 55 kinds of anions were extracted. In terms of the collected database, the structure-property relationship was evaluated. The correlation of melting points of two most common systems, disubstituted imidazolium tetrafluoroborate and disubstituted imidazolium hexafluorophosphate, was carried out using a quantitative structure-property relationship method.
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66.10.Ed Ionic conduction
64.70.D- Solid-liquid transitions
64.70.P- Glass transitions of specific systems
64.70.Q- Theory and modeling of the glass transition

Wavelengths, Energy Level Classifications, and Energy Levels for the Spectrum of Neutral Mercury

E. B. Saloman

J. Phys. Chem. Ref. Data 35, 1519 (2006); http://dx.doi.org/10.1063/1.2204960 (30 pages) | Cited 4 times

Online Publication Date: 11 October 2006

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A comprehensive critically evaluated compilation of the most accurate wavelength measurements for classified lines of neutral mercury (Hg I) for both the single isotope math and for mercury in its natural isotopic abundance has been prepared. Data from 12 sources spanning the region from 1849 to 40 050 Å are included for math. Data from 39 sources spanning the region from 745 to 64 918 Å are included for the natural isotope mixture. Based on these line lists we have derived optimized values for the energy levels of neutral mercury for both math and the natural isotopic mixture. Tabular data for 105 classified lines and 60 energy levels are provided for math and 658 lines and 275 energy levels are provided for the natural isotopic mixture.
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32.30.−r
32.50.+d Fluorescence, phosphorescence (including quenching)

A Reference Multiparameter Thermal Conductivity Equation for Carbon Dioxide with an Optimized Functional Form

G. Scalabrin, P. Marchi, F. Finezzo, and R. Span

J. Phys. Chem. Ref. Data 35, 1549 (2006); http://dx.doi.org/10.1063/1.2213631 (27 pages) | Cited 2 times

Online Publication Date: 16 October 2006

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A new thermal conductivity equation λ = λ(T,ρ) in a multiparameter format was developed for carbon dioxide through the application of an optimization technique of the functional form. The proposed equation is valid for temperatures from the triple point (Tt = 216.592 K; Pt = 0.51795 MPa) to 1000 K and pressures up to 200 MPa. The calculation of density, which is an independent variable of the equation, from the experimental (T,P) conditions is performed with a high accuracy equation of state for the fluid. The thermal conductivity equation shows an average absolute deviation of 1.19% on the selected 1407 primary data points. Its performances are slightly better than those of the corresponding conventional model by Vesovic et al. [J. Phys. Chem. Ref. Data 19, 763 (1990)] available from the literature; moreover the new equation is simpler to use in particular for the near-critical region. Tables of generated values of carbon dioxide thermal conductivity are provided for check of the code implementations and for quick evaluations.
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51.20.+d Viscosity, diffusion, and thermal conductivity

Recommended Vapor–Liquid Equilibrium Data. Part 4. Binary Alkanol–Alkene/Alkyne Systems

Marian Góral, Andrzej Bok, Teresa Kasprzycka–Gutman, and Paweł Oracz

J. Phys. Chem. Ref. Data 35, 1577 (2006); http://dx.doi.org/10.1063/1.2336783 (20 pages) | Cited 1 time

Online Publication Date: 19 October 2006

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The recommended vapor–liquid equilibrium (VLE) data for binary mixtures of alkanols with alkenes and alkynes have been selected after critical evaluation of all data reported in the open literature up to the end of 2003. The evaluation procedure consisted in combining the thermodynamic consistency tests, data correlation, comparison with enthalpy of mixing data, and comparison of VLE data for various mixtures. The data were correlated with Wilson equation as well as with equation of state appended with chemical term (EoSC) proposed by Góral. The recommended data for 18 systems are presented in the form of individual pages containing tables of data, figures, and auxiliary information. Each page corresponds to one system and contains three isotherms (spaced by at least 15 K) and one isobar (preferably at 101.32 kPa). Experimental gaps were completed with the predicted data.
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64.70.F- Liquid-vapor transitions
64.75.-g Phase equilibria

A New Reference Correlation for the Viscosity of Methanol

Hong Wei Xiang, Arno Laesecke, and Marcia L. Huber

J. Phys. Chem. Ref. Data 35, 1597 (2006); http://dx.doi.org/10.1063/1.2360605 (24 pages) | Cited 8 times

Online Publication Date: 8 November 2006

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A new reference-quality correlation for the viscosity of methanol is presented that is valid over the entire fluid region, including vapor, liquid, and metastable phases. To describe the zero-density viscosity with kinetic theory for polar gases, a new expression for the collision integral of the Stockmayer potential is introduced. The initial density dependence is based on the Rainwater–Friend theory. A new correlation for the third viscosity virial coefficient is developed from experimental data and applied to methanol. The high-density contribution to the viscosity is based on the Chapman–Enskog theory and includes a new expression for the hard-sphere diameter that is a function of both temperature and density. The resulting correlation is applicable for temperatures from the triple point to 630 K at pressures up to 8 GPa. The estimated uncertainty of the resulting correlation (with a coverage factor of 2) varies from 0.6% in the dilute-gas phase between room temperature and 630 K, to less than 2% for the liquid phase at pressures up to 30 MPa at temperatures between 273 and 343 K, 3% for pressures from 30 to 100 MPa, 5% for the liquid from 100 to 500 MPa, and 10% between 500 MPa and 4 GPa. At very high pressures, from 4 to 8 GPa, the correlation has an estimated uncertainty of 30% and can be used to indicate qualitative behavior.
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51.20.+d Viscosity, diffusion, and thermal conductivity
66.20.-d Viscosity of liquids; diffusive momentum transport

Temperature Dependences of Limiting Activity Coefficients, Henry’s Law Constants, and Derivative Infinite Dilution Properties of Lower (C1–C5) 1-Alkanols in Water. Critical Compilation, Correlation, and Recommended Data

Vladimír Dohnal, Dana Fenclová, and Pavel Vrbka

J. Phys. Chem. Ref. Data 35, 1621 (2006); http://dx.doi.org/10.1063/1.2203355 (31 pages) | Cited 12 times

Online Publication Date: 9 November 2006

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A comprehensive review is presented of experimental data on the limiting activity coefficients γ1∞, infinite dilution partial molar excess enthalpies math1E,∞ and heat capacities mathp,1E,∞ of lower 1-alkanols (C1–C5) in water. For each alkanol, the compiled data are critically evaluated and correlated with a suitable model equation providing adequate simultaneous description of the equilibrium measurements and the calorimetric information. As a result, recommended thermodynamically consistent temperature dependences of γ1∞, math1E,∞, and mathp,1E,∞ of superior accuracy are established in the range from the melting point to the normal boiling point of water. In addition, by employing literature data on the respective residual properties of the pure 1-alkanols, analogous recommendations are also derived for the temperature dependences of the Henry’s law constants, hydration enthalpies, and hydration heat capacities. Evolution of the various infinite dilution thermodynamic properties of aqueous 1-alkanols with temperature and homologous series is briefly discussed.
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82.60.Lf Thermodynamics of solutions
64.75.-g Phase equilibria

Solubility of Structurally Complicated Materials: II. Bone

Ari L. Horvath

J. Phys. Chem. Ref. Data 35, 1653 (2006); http://dx.doi.org/10.1063/1.2360606 (16 pages) | Cited 1 time

Online Publication Date: 29 November 2006

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Bone is a structurally complex material, formed of both organic and inorganic chemicals. The organic compounds constitute mostly collagen and other proteins. The inorganic or bone mineral components constitute predominantly calcium, phosphate, carbonate, and a host of minor ingredients. The mineralized bone is composed of crystals which are closely associated with a protein of which collagen is an acidic polysaccharide material. This association is very close and the protein integrates into the crystalline structure. The mineralization involves the deposition of relatively insoluble crystals on an organic framework. The solubility process takes place when the outermost ions in the crystal lattice breakaway from the surface and become separated from the crystal. This is characteristic for ions dissolving in water or aqueous solutions at the specified temperature. The magnitude of solubility is temperature and pH dependent. Bone is sparingly soluble in most solvents. Enamel is less soluble than bone and fluoroapatite is the least soluble of all apatites in acid buffers. Collagen is less soluble in neutral salt solution than in dilute acid solutions at ambient temperatures. The solubility of collagens in solvents gradually decreases with increasing age of the bone samples.
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87.15.N- Properties of solutions of macromolecules
01.30.Kj Handbooks, dictionaries, tables, and data compilations

A Critical Compilation of Atomic Transition Probabilities for Neutral and Singly Ionized Iron

J. R. Fuhr and W. L. Wiese

J. Phys. Chem. Ref. Data 35, 1669 (2006); http://dx.doi.org/10.1063/1.2218876 (141 pages) | Cited 47 times

Online Publication Date: 12 December 2006

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We have carried out a new, expanded tabulation of the atomic transition probabilities for allowed and forbidden lines of Fe I and Fe II, based on the critical evaluation of all available literature sources. The compiled data are taken mainly from recent experimental and theoretical results that became available after the publication of our first compilation in 1988. The data are arranged in multiplet format and are ordered according to increasing excitation energies.
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32.30.−r
32.50.+d Fluorescence, phosphorescence (including quenching)
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