Showing papers in "Journal of Physical and Chemical Reference Data in 1984"
TL;DR: In this paper, the available data on gas phase basicities and proton affinities of molecules are compiled and evaluated, and tables giving the molecules ordered according to proton affinity and (2) according to empirical formula, sorted alphabetically are provided.
Abstract: The available data on gas phase basicities and proton affinities of molecules are compiled and evaluated. Tables giving the molecules ordered (1) according to proton affinity and (2) according to empirical formula, sorted alphabetically are provided. The heats of formation of the molecules and the corresponding protonated species are also listed.
1,244 citations
TL;DR: In this article, the authors derived a semi-empirical equation for the thermodynamic properties of NaCl(aq) at constant pressure, which was combined with results contained in the previous paper on the volumetric properties to yield a complete equation of state valid in the region 273 K≤T≤573 K, saturation pressure ≤P≤1 kbar, 0≤m≤6.0 mol kg−1.
Abstract: Experimental measurements of the osmotic and activity coefficients, the enthalpy, and the heat capacity were used to derive a semiempirical equation for the thermodynamic properties of NaCl(aq) at constant pressure. This equation may be combined with results contained in the previous paper on the volumetric properties to yield a complete equation of state valid in the region 273 K≤T≤573 K, saturation pressure ≤P≤1 kbar, 0≤m≤6.0 mol kg−1. It is shown that this equation may be extrapolated to higher solute molalities at lower pressures. An estimation of uncertainties in various quantities is given. Tables of values for various thermodynamic properties are presented in the appendix.
686 citations
TL;DR: In this article, a critical evaluation of the rate constants, mechanisms, and products of selected atmospheric reactions of hydrocarbons, nitrogen oxides, and sulfur oxides in air is presented.
Abstract: This review is a critical evaluation of the rate constants, mechanisms, and products of selected atmospheric reactions of hydrocarbons, nitrogen oxides, and sulfur oxides in air. The evaluation considers eight hydrocarbons (n‐butane, 2,3‐dimethylbutane, ethene, propene, 1‐butene, trans‐2‐butene, toluene, and m‐xylene) for which smog chamber irradiations have been carried out under carefully controlled conditions and which have been the subject of computer modeling studies by more than one research group. The reactions involved are treated in the following categories: inorganic reactions in organic‐NOx‐air irradiations; organic reactions of the formaldehyde‐NOx‐air system; organic reactions of the acetaldehyde‐NOx‐air system; organic reactions of the alkene‐NOx‐air systems; organic reactions of the alkane‐NOx‐air systems; organic reactions of selected carbonyl‐NOx‐air systems; organic reactions of the aromatic‐NOx‐air systems; combination reactions of peroxy radicals, and homogeneous gas phase SO2 reaction...
461 citations
TL;DR: In this paper, the authors extended previous critical evaluations of the kinetics and photochemistry of gas phase chemical reactions of neutral species involved in atmosphere chemistry, and provided the basic physical chemical data needed as input for calculations which model atmospheric chemistry.
Abstract: This paper updates and extends previous critical evaluations of the kinetics and photochemistry of gas phase chemical reactions of neutral species involved in atmosphere chemistry [J. Phys. Chem. Ref. Data 9, 295 (1980); 11 327 (1982)]. The work has been carried out by the authors under the auspices of the CODATA Task Group on Gas Phase Chemical Kinetics. Data sheets have been prepared for 256 thermal and photochemical reactions, containing summaries of the available experimental data with notes giving details of the experimental procedures. For each reaction, a preferred value of the rate coefficient at 298 K is given together with a temperature dependence where possible. The selection of the preferred value is discussed; and estimates of the accuracies of the rate coefficients and temperature coefficients have been made for each reaction. The data sheets are intended to provide the basic physical chemical data needed as input for calculations which model atmospheric chemistry. A table summarizing the pr...
436 citations
TL;DR: In this article, a set of easy-to-program expressions for the calculation of the thermodynamic and transport properties of the five noble gases (He, Ne, Ar, Kr, Xe) and of the 26 binary and multicomponent mixtures that can be formed with them are presented.
Abstract: The report contains a set of easy‐to‐program expressions for the calculation of the thermodynamic and transport properties of the five noble gases (He, Ne, Ar, Kr, Xe) and of the 26 binary and multicomponent mixtures that can be formed with them. The properties in question are second virial coefficient B, viscosity η, thermal conductivity λ, self‐diffusion and binary diffusion coefficient D, and thermal diffusion factor αT. The calculation of properties is restricted to low densities ( ρ≪B/C) but covers the full range of compositions and a temperature interval extending from absolute zero to the onset of ionization. Owing to the careful theoretical basis on which the algorithm has been erected, all properties are thermodynamically consistent with each other. Reference to a selected set of critically evaluated measurements provides a basis for the estimation of uncertainties. The report contains 54 abbreviated tables of numerical data and 86 deviation plots. It is asserted that the results are comparable to the best measurements that could be performed at present.
421 citations
TL;DR: In this paper, the authors present a compendium of thermophysical properties of deuterium oxide (heavy water) and show that the properties are represented by equations which can be readily programed on a computer and incorporated in data banks.
Abstract: The present publication contains data on the thermophysical properties of deuterium oxide (heavy water). It is a companion to the paper on the thermophysical properties of fluid H2O published earlier in this journal by the same authors. The properties are represented by equations which can be readily programed on a computer and incorporated in data banks. All data have been carefully and critically analyzed. The compendium represents the best available data for fluid D2O.
366 citations
TL;DR: In this article, a review of the solubility of nitrogen and air in liquids as a function of temperature and pressure is presented, and the recommended or tentative values are presented as smoothing equations and/or in tabular form.
Abstract: This review covers the solubility of nitrogen and air in liquids as a function of temperature and pressure. Solubility data for individual systems were critically evaluated. Recommended or tentative values are presented as smoothing equations and/or in tabular form. Trends in homologous series or related solvents are discussed. Data for the n‐alkanes were smoothed with respect to temperature, pressure, and carbon number. Liquids include: water; heavy water; seawater; aqueous salt solutions; mixed solvents; hydrocarbons; organic compounds containing oxygen, halogen, sulfur, nitrogen, or silicon; olive oil; various biological fluids; H2S; SO2; NH3; CO2; nitrogen oxides; and several halogen and boron containing inorganic solvents.
291 citations
TL;DR: The water solubilities of several polynuclear aromatic and heteroaromatic hydrocarbons have been compiled and reviewed for consistency through correlations with parameters such as surface area, molecular volume, and boiling point as discussed by the authors.
Abstract: The water solubilities of several polynuclear aromatic and heteroaromatic hydrocarbons have been compiled and reviewed for consistency through correlations with parameters such as surface area, molecular volume, and boiling point. The carbocycles and oxygen and sulfur heterocycles were governed by the same correlative equations, thereby indicating that these heteroatoms entered into only a limited degree of hydrogen bonding. Equations representing the nitrogen heterocycles differed from their carbocyclic counterparts by an approximately constant amount, suggesting that while the solubilizing effect of the nitrogen heteroatom may be large, it tends to remain constant within a similar series of compounds.
274 citations
TL;DR: A large number of measurements describing the isotopic composition of the elements using a variety of analytical methods have been reported since the discovery of the first isotope in 1912 as mentioned in this paper, and during the past several decades, almost exclusively, mass spectrometric methods were used to determine the isotope composition, and thus the atomic weights, of each polynuclidic element.
Abstract: A large number of measurements describing the isotopic composition of the elements using a variety of analytical methods have been reported since the discovery of the first isotope in 1912. During the past several decades, however, mass spectrometric methods have been used, almost exclusively, to determine the isotopic composition, and thus the atomic weights, of the elements. This evaluated compilation reports the literature references for all complete mass spectrometric measurements published during the period 1920 through 1983. Also given are the isotopic compositions, the isotope ratios, the atomic weights calculated from the data, the appropriate nuclidic masses and an evaluation of the errors of the measurements. For each polynuclidic element, a best measurement has been selected.
227 citations
TL;DR: The CODATA Task Group on Thermophysical Properties is preparing a set of recommended values for the heat capacity, thermal expansion, and transport properties of key solids which are used in calibrating or checking measuring equipment.
Abstract: The CODATA Task Group on Thermophysical Properties is preparing a set of recommended values for the heat capacity, thermal expansion, and transport properties of key solids which are used in calibrating or checking measuring equipment. The present paper surveys selected data on heat capacity at constant pressure Cp of copper from 1 to 1300 K and tungsten from 1 to 3400 K. Selected values are tabulated for Cp and also for heat capacity at constant volume Cv. Interpolating functions are given for Cp.
225 citations
TL;DR: In this article, the authors search, compile, and analyze refractive index data of ZnS, ZnSe, and ZnTe and generate the recommended values of refractive indices for the transparent spectral region.
Abstract: Refractive index data of ZnS, ZnSe, and ZnTe were searched, compiled, and analyzed. Recommended values of refractive index for the transparent spectral region were generated in the ranges 0.5–14 μm and 93–1000 K for ZnS, 0.55–18 μm and 93–618 K for ZnSe, and 0.55–30 μm at room temperature for ZnTe. Generation of these values was based on a dispersion equation that best fits selected data sets covering wide temperature and wavelength ranges where the available experimental data permit. Temperature and wavelength derivatives of refractive index were calculated from the first derivatives of the equation with respect to temperature and wavelength, respectively. The results are in concordance with the existing data.
TL;DR: In this article, the available data and information on the electrical resistivity of hafnium, molybdenum, tantalum, tungsten, and zinc are discussed.
Abstract: This work compiles, reviews, and discusses the available data and information on the electrical resistivity of hafnium, molybdenum, tantalum, tungsten, and zinc and presents the recommended values resulting from critical evaluation, correlation, analysis, and synthesis of the available data and information. The recommended values presented are both uncorrected and also corrected for the thermal expansion of the material and cover the temperature range from 1 K to above the melting point into the molten state. The estimated uncertainties in most of the recommended values are about ±2% to ±10%.
TL;DR: In this article, the available data and information on the electrical resistivity of aluminum and manganese were discussed and the recommended values resulting from critical evaluation, correlation, analysis, and synthesis were presented.
Abstract: This work compiles, reviews, and discusses the available data and information on the electrical resistivity of aluminum and manganese and presents the recommended values resulting from critical evaluation, correlation, analysis, and synthesis of the available data and information The recommended values presented are uncorrected and also corrected for the thermal expansion of the material and cover the temperature range from 1 K to above the melting point into the molten state for aluminum and to 700 K for manganese The estimated uncertainties in most of the recommended values are about ±2% to ±5%
TL;DR: In this paper, the experimentally determined ground-state vibrational energy levels of approximately 480 covalently bonded transient molecules possessing from 3 to 16 atoms are tabulated, together with references to the pertinent literature.
Abstract: The experimentally determined ground‐state vibrational energy levels of approximately 480 covalently bonded transient molecules possessing from 3 to 16 atoms are tabulated, together with references to the pertinent literature. The types of measurement surveyed include laser‐based high resolution gas phase infrared absorption and visible‐ultraviolet emission techniques, ultraviolet photoelectron spectroscopy, and matrix isolation spectroscopy. An assessment of the magnitude of the uncertainty of observations in neon, argon, and nitrogen matrices is given.
TL;DR: In this paper, the Gibbs energy and enthalpy functions of condensed and vapor phases are given in the form of equations valid over wide temperature ranges, along with the standard entropies and Enthalpies of formation.
Abstract: In order to assess the high temperature vaporization behavior and equilibrium gas phase compositions of binary alkali metal oxides, the relevant thermodynamic and molecular constant data have been compiled and critically evaluated. Selected values of the Gibbs energy and enthalpy functions of condensed and vapor phases are given in the form of equations valid over wide temperature ranges, along with the standard entropies and enthalpies of formation. These data were used to generate plots of the equilibrium partial pressures of vapor species as functions of temperature for representative conditions ranging from reducing to oxidizing. Maximum vaporization rates have been calculated using the Hertz–Knudsen equation. Literature references are given.
TL;DR: A critical review of all experimental data on Stark widths and shifts of spectral lines of neutral elements published during the period 1976-1982 has been carried out as mentioned in this paper, which represents an extension and update of an earlier review which covered the period before 1976.
Abstract: A critical review of all experimental data on Stark widths and shifts of spectral lines of neutral elements published during the period 1976–1982 has been carried out. This work represents an extension and update of an earlier review which covered the period before 1976. Data tables containing the selected experimental Stark broadening parameters are presented together with estimated accuracies. Comparisons with comprehensive calculations based on the semiclassical theory are made whenever possible.
TL;DR: In this article, an atlas of the Schumann-runge absorption bands of O2 at 300 K is presented, showing detailed rotational line assignments in the wavelength region 175-205 nm.
Abstract: After a critical summary of previous wavelength measurements and rotational line assignments of the Schumann–Runge absorption bands of O2, the results of the present study performed at high resolution with a 6.65 m vacuum spectrograph are given. These include (a) an atlas of the Schumann–Runge absorption bands of O2 at 300 K showing detailed rotational line assignments in the wavelength region 175–205 nm containing the bands (v′,0) with v′=0–21 and (v′,1) with v′=2–16; (b) tables of wave numbers measured for rotationally assigned principal branch lines belonging to the bands (v′,0) with v′=0–17 and (v′,1) with v′=2–17; (c) a table of measured wave numbers of lines in the region near the dissociation limit where many unassigned lines exist; (d) a table of wave numbers calculated for satellite and forbidden lines belonging to the bands (9,0)–(17,0) together with the few values obtained from our measurements; and (e) a table of term values for the upper state B 3Σ−u vibration–rotation levels with v′=9–17 cal...
TL;DR: In this paper, a critical review of the available experimental data on the Stark widths and shifts for lines of non-hydrogenic ionized spectra has been carried out which covers the period from 1976 to the present and represents a continuation of an earlier critical review.
Abstract: A new critical review of the available experimental data on the Stark widths and shifts for lines of non‐hydrogenic ionized spectra has been carried out which covers the period from 1976 to the present and represents a continuation of an earlier critical review. The relevant literature, compiled by the NBS Data Center on Atomic Lines Shapes and Shifts as well as by the present authors, was critically evaluated, and data tables containing the selected experimental Stark broadening parameters have been assembled. The data are arranged according to spectra and elements and these are presented in alphabetical order. The accuracy of the experimental data is estimated on the basis of guidelines developed during the previous review. Comparisons with theoretical results are made whenever possible since the comparison with theory has often been a principal motivation for the experiments.
TL;DR: The International Association for the Properties of Steam (IAPS) adopted a new formulation for the thermodynamic properties of water substance for scientific and general use as discussed by the authors, which is used in this paper.
Abstract: The International Association for the Properties of Steam adopted in 1982 a new formulation for the thermodynamic properties of water substance for scientific and general use. In this paper, we present an assessment of currently available methods for calculating the viscosity of water substance when used in conjunction with the new formulation for the equilibrium properties.
TL;DR: In this paper, the development of the available information for the thermal conductivity of fluid H2O since the promulgation of the first international formulation for the transport properties of water substance in 1964 is discussed.
Abstract: The paper documents the development of the available information for the thermal conductivity of fluid H2O since the promulgation of the first international formulation for the transport properties of water substance in 1964. As a result of this development, the International Association for the Properties of Steam has adopted new recommended interpolating equations for the thermal conductivity of fluid H2O at pressures up to 100 MPa and at temperatures up to 800 °C. These new international equations are discussed.
TL;DR: A detailed compilation of rate data for inelastic collision processes involving the homonuclear and heteronuclear diatomic halogen molecules is presented in this article, where the collision partners include rare gas atoms, halogen and other diatomic molecules, and polyatomic species; a few measurements in liquids and cryogenic matrices are also included.
Abstract: A detailed compilation of rate data for inelastic collision processes involving the homonuclear and heteronuclear diatomic halogen molecules is presented. The literature has been surveyed through April 1983. Processes that are considered include exchange of energy between electronic, vibrational, rotational and translational degrees of freedom, electronic quenching, dephasing, depolarization, pressure broadening, and spontaneous radiation. Collision partners include rare‐gas atoms, halogen and other diatomic molecules, and polyatomic species; a few measurements in liquids and cryogenic matrices are also included. Each data entry includes collision partner, temperature, method of measurement, and an error estimate where available. While a large mass of data is available for these systems, there still exist sizable gaps in our knowledge concerning these processes, particularly for the interhalogen species.
TL;DR: In this article, the available data and information on the electrical resistivity of vanadium and zirconium is discussed and the recommended values resulting from critical evaluation, correlation, analysis, and synthesis are presented.
Abstract: This work compiles, reviews, and discusses the available data and information on the electrical resistivity of vanadium and zirconium and presents the recommended values resulting from critical evaluation, correlation, analysis, and synthesis of the available data and information. The recommended values presented are uncorrected and also corrected for the thermal expansion of the material and cover the temperature range from 1 K to above the melting point into the molten state. The estimated uncertainties in most of the recommended values are about ±2% to ±5%.
TL;DR: In this paper, the theoretical cross-section data for single-electron capture in collisions of multiply charged ions with nonhydrogenic atoms are compiled and their accuracy is assessed using both pure theoretical arguments and comparison with experimental data, where available.
Abstract: The theoretical cross‐section data for single‐electron capture in collisions of multiply charged ions with nonhydrogenic atoms are compiled and their accuracy is assessed. The energy per unit mass range considered is from ∼1 eV/u to several MeV/u, u being the unified atomic mass unit. Accuracy is assessed using both pure theoretical arguments and comparison with experimental data, where available. A similar assessment is performed for the two‐electron capture cross‐section data in ion–atom collisions, as well as for single‐ and double‐charge exchange in ion–ion collisions.
TL;DR: A review of the existing measurements of the triple point temperatures Ttp of deuterium is presented in this paper, where all data are adjusted to a common temperature scale, and error limits are proposed where none was provided in the source publications.
Abstract: A review is presented of the existing measurements of the triple‐point temperatures Ttp of deuterium. All data are adjusted to a common temperature scale, and error limits are proposed where none was provided in the source publications. The effects of sample contamination are also considered. Impurity corrections, based on estimates from vapor‐pressure measurements, are applied to the results. The analytical representation Ttp(x)=18.680+0.155x, where x is the fraction of p‐D2 (J=1), is found to represent Ttp to ±0.010 K. The value, 18.723±0.010 K, measured most recently on normal deuterium is consistent with the most accurate and precise of the earlier data.