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Top 20 Most Read Articles
August 2010
The 20 articles with the most full-text downloads during the month, in descending order.
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Energy Levels and Observed Spectral Lines of Ionized Argon, Ar II through Ar XVIII J. Phys. Chem. Ref. Data 39, 033101 (2010); http://dx.doi.org/10.1063/1.3337661 (162 pages) Online Publication Date: 29 July 2010
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The energy levels and observed spectral lines of ionized argon atoms, in all stages of ionization, have been compiled. Sufficient experimental data were found to generate level and line tables for Ar II through Ar XV. For Ar XVI a mix of experimental and theoretical data were used. Because of the superiority of the theoretical data for Ar XVII and Ar XVIII, theoretical values are compiled for the energy levels and the lines are calculated from them. Experimental g-factors are included for Ar II. A value, either experimental, semiempirical, or theoretical, is included for the ionization energy of each ion.
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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 39, 023101 (2010); http://dx.doi.org/10.1063/1.3380845 (13 pages) Online Publication Date: 1 June 2010
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The IUPAC-NIST Solubility Data Series (SDS) is an ongoing project that provides comprehensive reviews of published data for solubilities of gases, liquids and solids in liquids or solids. Data are compiled in a uniform format, evaluated and, where data from independent sources agree sufficiently, recommended values are proposed. This paper is a guide to the SDS and is intended for the benefit of both those who use the SDS as a source of critically evaluated solubility data and who prepare compilations and evaluations for future volumes. A major portion of this paper presents terminology and nomenclature currently recommended by IUPAC and other international bodies and relates these to obsolete forms that appear in the older solubility literature. In addition, this paper presents a detailed guide to the criteria and procedures used in data compilation, evaluation, and presentation and considers special features of solubility in gas+liquid, liquid+liquid, and solid+liquid systems. In the past, much of this information was included in introductory sections of individual volumes of the SDS. However, to eliminate repetitive publication, this information has been collected, updated, and expanded for separate publication here.
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Fundamental Equations of State for Parahydrogen, Normal Hydrogen, and Orthohydrogen J. Phys. Chem. Ref. Data 38, 721 (2009); http://dx.doi.org/10.1063/1.3160306 (28 pages) Online Publication Date: 4 September 2009
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If the potential for a boom in the global hydrogen economy is realized, there will be an increase in the need for accurate hydrogen thermodynamic property standards. Based on current and anticipated needs, new fundamental equations of state for parahydrogen, normal hydrogen, and orthohydrogen were developed to replace the existing property models. To accurately predict thermophysical properties near the critical region and in liquid states, the quantum law of corresponding states was applied to improve the normal hydrogen and orthohydrogen formulations in the absence of available experimental data. All three equations of state have the same maximum pressure of 2000 MPa and upper temperature limit of 1000 K. Uncertainty estimates in this paper can be considered to be estimates of a combined expanded uncertainty with a coverage factor of 2 for primary data sets. The uncertainty in density is 0.04% in the region between 250 and 450 K and at pressures up to 300 MPa. The uncertainties of vapor pressures and saturated liquid densities vary from 0.1% to 0.2%. Heat capacities are generally estimated to be accurate to within 1%, while speed-of-sound values are accurate to within 0.5% below 100 MPa.
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Heat Capacity of Liquids: Critical Review and Recommended Values. Supplement II J. Phys. Chem. Ref. Data 39, 013103 (2010); http://dx.doi.org/10.1063/1.3182831 (404 pages) Online Publication Date: 31 March 2010
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A study was carried out in which new experimental data on heat capacities of pure liquid organic and some inorganic compounds were compiled and critically evaluated and recommended values provided. The bulk of the compiled data covers data published in the primary literature between 2000 and 2006 and includes some data published in 2007. However, some data from older sources are also included. The list of compound families covered was extended to include ionic liquids. Parameters of correlating equations for the temperature dependence of heat capacities of liquids were developed. This paper is an update of a two volume monograph entitled Heat Capacity of Liquids: Critical Review and Recommended Values by
Zábranský et al. [J. Phys. Chem. Ref. Data 30, 1199 (2001)]
, which was published in 1996 in the Journal of Physical and Chemical Reference Data as Monograph No. 6, and of Supplement I.
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Framework-Type Determination for Zeolite Structures in the Inorganic Crystal Structure Database J. Phys. Chem. Ref. Data 39, 033102 (2010); http://dx.doi.org/10.1063/1.3432459 (45 pages) Online Publication Date: 6 August 2010
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In this work a structural characterization of zeolite crystals is performed by identifying the framework type to which each zeolite belongs. The framework type is assigned for 1433 zeolite database entries in the FIZ/NIST Inorganic Crystal Structure Database (ICSD) populating 95 framework types. These entries correspond to both natural and synthetic zeolites. Each ICSD entry is based on published work containing crystallographic information of the zeolite crystalline structure and some physical and chemical data. Today, the Structure Commission of the International Zeolite Association recognizes crystalline materials as belonging to the “zeolite” family only if they possess one of the approved framework types by the organization. Such information is of fundamental importance for identifying zeolites, for reference, for zeolite standards, for supporting the discovery of new zeolites, and for crystalline substance selection based on application. Unfortunately, framework-type information is not contained in the ICSD records. The long term goal of this work is filling such gap. Although the ICSD contains an extensive collection of zeolites, inclusion of zeolites belonging to the 191 accepted framework types could substantially expand such collection. The structural determination was achieved via several structural analysis methods based on numerical-computer implementations.
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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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J. Phys. Chem. Ref. Data 39, 023102 (2010); http://dx.doi.org/10.1063/1.3339774 (70 pages) Online Publication Date: 7 June 2010
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The mutual solubilities and related liquid-liquid equilibria of 60 binary systems of C7 to C9 esters with water are exhaustively and critically reviewed. Reports of experimental determination of solubility that appeared in the primary literature prior to the end of 2007 are compiled. For 26 systems, sufficient data are available to allow critical evaluation. All data are expressed as mass fraction and mole fraction as well as the originally reported units. In addition to the standard evaluation criteria used throughout the Solubility Data Series, a method based on the evaluation of all experimental data for a given series of esters was used.
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Viscosity of concentrated sucrose and trehalose aqueous solutions including the supercooled regime J. Phys. Chem. Ref. Data 37, 1503 (2008); http://dx.doi.org/10.1063/1.2932114 (13 pages) Online Publication Date: 23 July 2008
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The viscosity of aqueous solutions of sucrose and trehalose is analyzed over a wide range of concentrations and temperatures covering the normal liquid and supercooled liquid regions, close to the glass transition temperature. These sugar solutions are fragile systems whose viscosity exhibits temperature dependence with a large departure from Arrhenius behavior. A description of the temperature and concentration dependences of the solution viscosity is given in terms of a scaled Arrhenius representation, which adopts the reduced temperature Tg/T as the state variable. A comparison with results obtained from other theoretical or semiempirical equations is also presented.
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Wavelengths, Transition Probabilities, and Energy Levels for the Spectra of Sodium (Na I–Na XI) J. Phys. Chem. Ref. Data 37, 1659 (2008); http://dx.doi.org/10.1063/1.2943652 (105 pages) Online Publication Date: 10 September 2008
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Energy levels, with classifications and uncertainties, have been compiled for the spectra of the neutral atom and all positive ions of sodium (Z = 11). Wavelengths with classifications, intensities, and transition probabilities are also tabulated. In addition, ground states and ionization energies are listed. Where available, the hyperfine structure constants and the percentages of the leading components of the energy levels are included. For all ionization stages of sodium, at least some experimental data are available; however, for those for which only a few transitions have been measured, theoretical calculations or values obtained by isoelectronic fitting are reported. Similarly, theoretical or isoelectronically determined ionization energies are given when they are thought to be more accurate than the available experimental data would produce.
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New International Formulation for the Viscosity of H2O J. Phys. Chem. Ref. Data 38, 101 (2009); http://dx.doi.org/10.1063/1.3088050 (25 pages) Online Publication Date: 21 April 2009
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The International Association for the Properties of Water and Steam (IAPWS) encouraged an extensive research effort to update the IAPS Formulation 1985 for the Viscosity of Ordinary Water Substance, leading to the adoption of a Release on the IAPWS Formulation 2008 for the Viscosity of Ordinary Water Substance. This manuscript describes the development and evaluation of the 2008 formulation, which provides a correlating equation for the viscosity of water for fluid states up to 1173 K and 1000 MPa with uncertainties from less than 1% to 7% depending on the state point.
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Tables of Atomic Transition Probabilities for Beryllium and Boron J. Phys. Chem. Ref. Data 39, 013101 (2010); http://dx.doi.org/10.1063/1.3286088 (80 pages) Online Publication Date: 12 March 2010
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We have carried out a comprehensive critical compilation of the atomic transition probabilities for the spectra of beryllium and boron. We tabulated these data for a total of about 1400 allowed and forbidden transitions and covered all stages of ionization. The hydrogenlike ions are included with relations scaled to the data for neutral hydrogen. The tables are arranged in multiplets, and these are ordered in increasing excitation energies.
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Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons J. Phys. Chem. Ref. Data 37, 1855 (2008); http://dx.doi.org/10.1063/1.2955570 (142 pages) Online Publication Date: 23 October 2008
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Experimental thermochemical properties of benzene, toluene, and 63 polycyclic aromatic hydrocarbons, published within the period 1878–2008 (over 350 references), are reported. Available experimental data for the enthalpies of combustion used to calculate enthalpies of formation in the condensed state, combined with sublimation, vaporization, and fusion enthalpies, are critically evaluated. Whenever possible, recommended values for these thermochemical properties and for the enthalpies of formation in the gas state at T = 298.15 K are provided.
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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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Isotopic Compositions of the Elements, 2001 J. Phys. Chem. Ref. Data 34, 57 (2005); http://dx.doi.org/10.1063/1.1836764 (11 pages) Online Publication Date: 21 March 2005
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The Commission on Atomic Weights and Isotopic Abundances of the International Union of Pure and Applied Chemistry completed its last review of the isotopic compositions of the elements as determined by isotope-ratio mass spectrometry in 2001. That review involved a critical evaluation of the published literature, element by element, and forms the basis of the table of the isotopic compositions of the elements (TICE) presented here. For each element, TICE includes evaluated data from the “best measurement” of the isotope abundances in a single sample, along with a set of representative isotope abundances and uncertainties that accommodate known variations in normal terrestrial materials. The representative isotope abundances and uncertainties generally are consistent with the standard atomic weight of the element Ar(E) and its uncertainty U[Ar(E)] recommended by CAWIA in 2001. © 2005 American Institute of Physics. |
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Wavelengths, Transition Probabilities, and Energy Levels for the Spectra of Cesium (Cs I–Cs LV) J. Phys. Chem. Ref. Data 38, 761 (2009); http://dx.doi.org/10.1063/1.3132702 (163 pages) Online Publication Date: 29 October 2009
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Energy level values, with designations and uncertainties, have been compiled for the spectra of the neutral atom and all positive ions of cesium (Z = 55). Transition wavelengths with classifications, intensities, and transition probabilities are also tabulated. In addition, ground states, ionization energies, and hyperfine structure constants are listed. For most ionization stages experimental data are available; however, for those for which only theoretical calculations or fitted values exist, these are reported. There are a few ionization stages for which only a calculated ionization potential is available.
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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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Cross Sections for Electron Collisions with Oxygen Molecules J. Phys. Chem. Ref. Data 38, 1 (2009); http://dx.doi.org/10.1063/1.3025886 (20 pages) Online Publication Date: 12 December 2008
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Cross section data are collected and reviewed for electron collisions with oxygen molecules. Included are the cross sections for total and elastic scatterings, momentum transfer, excitations of rotational, vibrational, and electronic states, dissociation, ionization, electron attachment, and emission of radiations. For each process, the recommended values of the cross sections are presented, when possible. The literature has been surveyed through the end of 2007.
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Announcement: Multimedia Capability Added to Journal of Physical and Chemical Reference Data J. Phys. Chem. Ref. Data 38, 97 (2009); http://dx.doi.org/10.1063/1.3099311 (1 page) Online Publication Date: 10 March 2009
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Cross Sections for Electron Collisions with Hydrogen Molecules J. Phys. Chem. Ref. Data 37, 913 (2008); http://dx.doi.org/10.1063/1.2838023 (19 pages) Online Publication Date: 31 March 2008
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Cross section data have been compiled for electron collisions with hydrogen molecules based on 71 references. Cross sections are collected and reviewed for total scattering, elastic scattering, momentum transfer, excitations of rotational, vibrational, and electronic states, dissociation, ionization, emission of radiation, and dissociative attachment. For each process, the recommended values of the cross section are presented for use. The literature has been surveyed through the end of 2006.
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