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Top 20 Most Read Articles
November 2007
The 20 articles with the most full-text downloads during the month, in descending order.
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J. Phys. Chem. Ref. Data 36, 59 (2007); http://dx.doi.org/10.1063/1.2366707 (74 pages) Online Publication Date: 28 February 2007
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The mutual solubility and related liquid–liquid equilibria of C4 alcohols with water are exhaustively and critically reviewed. Reports of experimental determination of solubility in three chemically distinct binary systems that appeared in the primary literature prior to end of 2004 are compiled. For all the systems sufficient data are available to allow critical evaluation. All data are expressed as mass percent and mole fraction as well as the originally reported units. In addition to the standard evaluation criteria used throughout the Solubility Data Series, a new method based on the evaluation of all experimental data for a given homologous series of saturated alcohols was used.
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Vaporization Enthalpy: Corresponding-States Correlations Versus DIPPR Database J. Phys. Chem. Ref. Data 36, 1133 (2007); http://dx.doi.org/10.1063/1.2769381 (7 pages) Online Publication Date: 5 September 2007
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Data for the vaporization enthalpy accepted in the Design Institute for Physical Property Data® (DIPPR®) database are compared with those given by general correlations based on the corresponding-states method. In particular, four analytical predictive correlations were used. Three of them require as input the critical temperature and the acentric factor. The fourth requires a molecular Lennard-Jones parameter and the acentric factor. Results obtained for 1576 fluids indicate that the recommended model for an overall use, in order to reproduce the DIPPR data, is the one proposed by
Sivaraman et al. [Ind. Eng. Chem. Fundam. 23, 97 (1984)].
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Evaluated Kinetic Data for Combustion Modeling: Supplement II J. Phys. Chem. Ref. Data 34, 757 (2005); http://dx.doi.org/10.1063/1.1748524 (641 pages) Online Publication Date: 27 July 2005
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This compilation updates and expands two previous evaluations of kinetic data on elementary, homogeneous, gas phase reactions of neutral species involved in combustion systems [J. Phys. Chem. Ref Data 21, 411 (1992); 23, 847 (1994)]. The work has been carried out under the auspices of the IUPAC Commission on Chemical Kinetics and the UK Engineering and Physical Sciences Research Council. Individual data sheets are presented for most reactions but the kinetic data for reactions of C2, C, ethyl, i-propyl, t-butyl, and allyl radicals are summarized in tables. Each data sheet sets out relevant thermodynamic data, experimental kinetic data, references, recommended rate parameters with their error limits and a brief discussion of the reasons for their selection. Where appropriate the data are displayed on an Arrhenius diagram or by fall-off curves. Tables summarizing the recommended rate data and the thermodynamic data for the reactant and product species are given, and their sources referenced. As in the previous evaluations the reactions considered relate largely to the combustion in air of organic compounds containing up to three carbon atoms and simple aromatic compounds. Thus the data base has been expanded, largely by dealing with a substantial number of extra reactions within these general areas. © 2005 American Institute of Physics. |
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Handbook of Basic Atomic Spectroscopic Data J. Phys. Chem. Ref. Data 34, 1559 (2005); http://dx.doi.org/10.1063/1.1800011 (701 pages) Online Publication Date: 28 September 2005
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© 2005 American Institute of Physics. |
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Physical Properties of Ionic Liquids: Database and Evaluation J. Phys. Chem. Ref. Data 35, 1475 (2006); http://dx.doi.org/10.1063/1.2204959 (43 pages) 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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J. Phys. Chem. Ref. Data 31, 387 (2002); http://dx.doi.org/10.1063/1.1461829 (149 pages) Online Publication Date: 7 June 2002
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In 1995, the International Association for the Properties of Water and Steam (IAPWS) adopted a new formulation called “The IAPWS Formulation 1995 for the Thermodynamic Properties of Ordinary Water Substance for General and Scientific Use”, which we abbreviate to IAPWS-95 formulation or IAPWS-95 for short. This IAPWS-95 formulation replaces the previous formulation adopted in 1984. This work provides information on the selected experimental data of the thermodynamic properties of water used to develop the new formulation, but information is also given on newer data. The article presents all details of the IAPWS-95 formulation, which is in the form of a fundamental equation explicit in the Helmholtz free energy. The function for the residual part of the Helmholtz free energy was fitted to selected data for the following properties: (a) thermal properties of the single-phase region (pρT) and of the vapor–liquid phase boundary (pσρ′ρ″T), including the phase-equilibrium condition (Maxwell criterion), and (b) the caloric properties specific isochoric heat capacity, specific isobaric heat capacity, speed of sound, differences in the specific enthalpy and in the specific internal energy, Joule–Thomson coefficient, and isothermal throttling coefficient. By applying modern strategies for optimizing the functional form of the equation of state and for the simultaneous nonlinear fitting to the data of all mentioned properties, the resulting IAPWS-95 formulation covers a validity range for temperatures from the melting line (lowest temperature 251.2 K at 209.9 MPa) to 1273 K and pressures up to 1000 MPa. In this entire range of validity, IAPWS-95 represents even the most accurate data to within their experimental uncertainty. In the most important part of the liquid region, the estimated uncertainty of IAPWS-95 ranges from ±0.001% to ±0.02% in density, ±0.03% to ±0.2% in speed of sound, and ±0.1% in isobaric heat capacity. In the liquid region at ambient pressure, IAPWS-95 is extremely accurate in density (uncertainty ⩽±0.0001%) and in speed of sound (±0.005%). In a large part of the gas region the estimated uncertainty in density ranges from ±0.03% to ±0.05%, in speed of sound it amounts to ±0.15% and in isobaric heat capacity it is ±0.2%. In the critical region, IAPWS-95 represents not only the thermal properties very well but also the caloric properties in a reasonable way. Special interest has been focused on the extrapolation behavior of the new formulation. At least for the basic properties such as pressure and enthalpy, IAPWS-95 can be extrapolated up to extremely high pressures and temperatures. In addition to the IAPWS-95 formulation, independent equations for vapor pressure, the densities, and the most important caloric properties along the vapor–liquid phase boundary, and for the pressure on the melting and sublimation curve, are given. Moreover, a so-called gas equation for densities up to 55 kg m−3 is also included. Tables of the thermodynamic properties calculated from the IAPWS-95 formulation are listed in the Appendix. © 2002 American Institute of Physics. |
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Compilation of Wavelengths, Energy Levels, and Transition Probabilities for W I and W II J. Phys. Chem. Ref. Data 35, 423 (2006); http://dx.doi.org/10.1063/1.1836763 (261 pages) Online Publication Date: 24 February 2006
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Energy levels, wavelengths, and transition probabilities of the first and second spectra of tungsten, W I and W II, have been compiled. Wavelengths of observed transitions and energy levels derived from those wavelengths have been obtained from a critical evaluation of the available literature. Measured transition probabilities for some of the observed transitions have been compiled from the published literature. © 2006 by the U.S. Secretary of Commerce on behalf of the United States. All rights reserved. |
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J. Phys. Chem. Ref. Data 36, 685 (2007); http://dx.doi.org/10.1063/1.2391321 (47 pages) Online Publication Date: 6 July 2007
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The mutual solubilities and related liquid–liquid equilibria of C8–C17 alcohols with water are exhaustively and critically reviewed. Reports of experimental determination of solubility in 21 chemically distinct binary systems that appeared in the primary literature prior to the end of 2004 are compiled. For 12 systems sufficient data are available to allow critical evaluation. All data are expressed as mass percent and mole fraction as well as the originally reported units. In addition to the standard evaluation criteria used throughout the Solubility Data Series, a new method based on the evaluation of the all experimental data for a given homologous series of saturated alcohols was used.
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Thermodynamics of Enzyme-Catalyzed Reactions: Part 7—2007 Update J. Phys. Chem. Ref. Data 36, 1347 (2007); http://dx.doi.org/10.1063/1.2789450 (51 pages) Online Publication Date: 25 October 2007
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This review serves to update previously published evaluations of equilibrium constants and enthalpy changes for enzyme-catalyzed reactions. For each reaction, the following information is given: the reference for the data, the reaction studied, the name of the enzyme used and its Enzyme Commission number, the method of measurement, the conditions of measurement [temperature, pH, ionic strength, and the buffer(s) and cofactor(s) used], the data and their evaluation, and, sometimes, commentary on the data and on any corrections which have been applied to the data or any calculations for which the data have been used. The review contains data from 119 references which have been examined and evaluated. Chemical Abstract Service registry numbers are given for the substances involved in these various reactions. There is also a cross reference between the substances and the Enzyme Commission numbers of the enzymes used to catalyze the reactions in which the substances participate.
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J. Phys. Chem. Ref. Data 29, 331 (2000); http://dx.doi.org/10.1063/1.1285884 (55 pages)
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A thermodynamic property formulation for standard dry air based upon available experimental p–ρ–T, heat capacity, speed of sound, and vapor–liquid equilibrium data is presented. This formulation is valid for liquid, vapor, and supercritical air at temperatures from the solidification point on the bubble-point curve (59.75 K) to 2000 K at pressures up to 2000 MPa. In the absence of reliable experimental data for air above 873 K and 70 MPa, air properties were predicted from nitrogen data in this region. These values were included in the determination of the formulation to extend the range of validity. Experimental shock tube measurements on air give an indication of the extrapolation behavior of the equation of state up to temperatures and pressures of 5000 K and 28 GPa. The available measurements of thermodynamic properties of air are summarized and analyzed. Separate ancillary equations for the calculation of dew and bubble-point pressures and densities of air are presented. In the range from the solidification point to 873 K at pressures to 70 MPa, the estimated uncertainty of density values calculated with the equation of state is 0.1%. The estimated uncertainty of calculated speed of sound values is 0.2% and that for calculated heat capacities is 1%. At temperatures above 873 K and 70 MPa, the estimated uncertainty of calculated density values is 0.5% increasing to 1.0% at 2000 K and 2000 MPa. In addition to the equation of state for standard air, a mixture model explicit in Helmholtz energy has been developed which is capable of calculating the thermodynamic properties of mixtures containing nitrogen, argon, and oxygen. This model is valid for temperatures from the solidification point on the bubble-point curve to 1000 K at pressures up to 100 MPa over all compositions. The Helmholtz energy of the mixture is the sum of the ideal gas contribution, the real gas contribution, and the contribution from mixing. The contribution from mixing is given by a single generalized equation which is applied to all mixtures used in this work. The independent variables are the reduced density and reduced temperature. The model may be used to calculate the thermodynamic properties of mixtures at various compositions including dew and bubble-point properties and critical points. It incorporates the most accurate published equation of state for each pure fluid. The mixture model may be used to calculate the properties of mixtures generally within the experimental accuracies of the available measured properties. The estimated uncertainty of calculated properties is 0.1% in density, 0.2% in the speed of sound, and 1% in heat capacities. Calculated dew and bubble-point pressures are generally accurate to within 1%. © 2000 American Institute of Physics and American Chemical Society. |
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A New Reference Correlation for the Viscosity of Methanol J. Phys. Chem. Ref. Data 35, 1597 (2006); http://dx.doi.org/10.1063/1.2360605 (24 pages) 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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Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules. Supplement B J. Phys. Chem. Ref. Data 32, 1 (2003); http://dx.doi.org/10.1063/1.1497629 (441 pages) Online Publication Date: 18 February 2003
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A summary is presented of recently published, critically evaluated experimental vibrational and electronic energy level data for approximately 1700 neutral and ionic transient molecules and high temperature species possessing from three to sixteen atoms. Although the emphasis is on species with lifetimes too short for study using conventional sampling techniques, there has been selective extension of the compilation to include data for isolated molecules of inorganic species such as the heavy-metal oxides, which are important in a wide variety of industrial chemical systems. Radiative lifetimes and the principal rotational constants are included. Observations in the gas phase, in molecular beams, and in rare-gas and diatomic molecule matrices are evaluated, and several thousand references are cited. The types of measurement surveyed include conventional and laser-based absorption and emission techniques, laser absorption with mass analysis, and photoelectron spectroscopy. © 2003 by the U.S. Secretary of Commerce on behalf of the United States. All rights reserved. |
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Experimental Vibrational Zero-Point Energies: Diatomic Molecules J. Phys. Chem. Ref. Data 36, 389 (2007); http://dx.doi.org/10.1063/1.2436891 (9 pages) Online Publication Date: 18 April 2007
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Vibrational zero-point energies (ZPEs), as determined from published spectroscopic constants, are derived for 85 diatomic molecules. Standard uncertainties are also provided, including estimated contributions from bias as well as the statistical uncertainties propagated from those reported in the spectroscopy literature. This compilation will be helpful for validating theoretical procedures for predicting ZPEs, which is a necessary step in the ab initio prediction of molecular energetics.
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IUPAC Critical Evaluation of Thermochemical Properties of Selected Radicals. Part I J. Phys. Chem. Ref. Data 34, 573 (2005); http://dx.doi.org/10.1063/1.1724828 (84 pages) Online Publication Date: 27 May 2005
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This is the first part of a series of articles reporting critically evaluated thermochemical properties of selected free radicals. The present article contains datasheets for 11 radicals: CH, CH2(triplet), CH2(singlet), CH3, CH2OH, CH3O, CH3CO, C2H5O, C6H5CH2, OH, and NH2. The thermochemical properties discussed are the enthalpy of formation, as well as the heat capacity, integrated heat capacity, and entropy of the radicals. One distinguishing feature of the present evaluation is the systematic utilization of available kinetic, spectroscopic and ion thermochemical data as well as high-level theoretical results. © 2005 American Institute of Physics. |
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Recommended Liquid–Liquid Equilibrium Data. Part 3. Alkylbenzene–Water Systems J. Phys. Chem. Ref. Data 33, 1159 (2004); http://dx.doi.org/10.1063/1.1797038 (30 pages) Online Publication Date: 24 January 2005
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The recommended liquid–liquid equilibrium (LLE) data for 21 binary alkylbenzene–water systems have been obtained after critical evaluation of all data (392 data sets) reported in the open literature up to the middle of 2003. An equation for prediction of the alkylbenzene solubilities was developed. The predicted alkylbenzene solubilities were used for calculation of water solubility in the second liquid phase. The LLE calculations were done with the equation of state appended with a chemical term proposed by Góral. The recommended data were presented in the form of individual pages containing tables, all the references, and optionally figures. © 2005 American Institute of Physics. |
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Enthalpies of Vaporization of Organic and Organometallic Compounds, 1880–2002 J. Phys. Chem. Ref. Data 32, 519 (2003); http://dx.doi.org/10.1063/1.1529214 (360 pages) Online Publication Date: 21 April 2003
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A compendium of vaporization enthalpies published within the period 1910–2002 is reported. A brief review of temperature adjustments of vaporization enthalpies from temperature of measurement to the standard reference temperature, 298.15 K, is included as are recently suggested reference materials. Vaporization enthalpies are included for organic, organo-metallic, and a few inorganic compounds. This compendium is the third in a series focusing on phase change enthalpies. Previous compendia focused on fusion and sublimation enthalpies. 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. © 2003 American Institute of Physics. |
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Enthalpies of Sublimation of Organic and Organometallic Compounds. 1910–2001 J. Phys. Chem. Ref. Data 31, 537 (2002); http://dx.doi.org/10.1063/1.1475333 (162 pages) Online Publication Date: 7 June 2002
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A compendium of sublimation enthalpies, published within the period 1910–2001 (over 1200 references), is reported. A brief review of the temperature adjustments for the sublimation enthalpies from the temperature of measurement to the standard reference temperature, 298.15 K, is included, as are recently suggested values for several reference materials. Sublimation enthalpies are included for organic, organometallic, and a few inorganic compounds. © 2002 American Institute of Physics. |
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IUPAC-NIST Solubility Data Series. 83. Acetonitrile: Ternary and Quaternary Systems J. Phys. Chem. Ref. Data 36, 733 (2007); http://dx.doi.org/10.1063/1.2539811 (399 pages) Online Publication Date: 5 September 2007
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The mutual solubility and liquid-liquid equilibria of acetonitrile ternary and quaternary systems with liquid solvents are reviewed. The solvents include water, inorganic compounds, and a variety of organic compounds such as hydrocarbons, halogenated hydrocarbons, alcohols, acids, esters, and nitrogen compounds. A total of 191 ternary and 35 quaternary systems whose properties were described in the chemical literature through 2000 are compiled. For 37 systems sufficient data were available to allow critical evaluation. All data are expressed as mass % and mole fractions as well as the originally reported units. Similar reviews of gas, liquid, and solid solubilities for other systems were published earlier in the International Union of Pure and Applied Chemistry Solubility Data Series. This is Volume 83 of this series.
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CODATA Recommended Values of the Fundamental Physical Constants: 1998 J. Phys. Chem. Ref. Data 28, 1713 (1999); http://dx.doi.org/10.1063/1.556049 (140 pages)
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This paper gives the 1998 self-consistent set of values of the basic constants and conversion factors of physics and chemistry recommended by the Committee on Data for Science and Technology (CODATA) for international use. Further, it describes in detail the adjustment of the values of the subset of constants on which the complete 1998 set of recommended values is based. The 1998 set replaces its immediate predecessor recommended by CODATA in 1986. The new adjustment, which takes into account all of the data available through 31 December 1998, is a significant advance over its 1986 counterpart. The standard uncertainties (i.e., estimated standard deviations) of the new recommended values are in most cases about 1/5 to 1/12 and in some cases 1/160 times the standard uncertainties of the corresponding 1986 value. Moreover, in almost all cases the absolute values of the differences between the 1998 values and the corresponding 1986 values are less than twice the standard uncertainties of the 1986 values. The new set of recommended values is available on the World Wide Web at physics.nist.gov/constants. © 1999 American Institute of Physics and American Chemical Society. |
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Binding Energies in Atomic Negative Ions: III J. Phys. Chem. Ref. Data 28, 1511 (1999); http://dx.doi.org/10.1063/1.556047 (23 pages)
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This article updates a 14 yr old review on this subject [J. Phys. Chem. Ref. Data 14, 731 (1985)]. A survey of the electron affinity determinations for the elements up to Z = 94 is presented, and based upon these data, a set of recommended electron affinities is established. New developments in the experimental methods which yield accurate electron binding energies are described. Fine structure splittings and excited state energies of negative ions as well as lifetimes of metastable states are given. Progress in theoretical calculations of atomic electron affinities is documented by comparison with reliable experimental data. © 1999 American Institute of Physics and American Chemical Society. |
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