bluuebunny/crossref_metadata_2025 huggingface dataset:
Wavelengths and energy level classifications of scandium spectra for all stages of ionization
Authors: Kaufman V. , Sugar J.
Published: June 2010

Wavelengths and their classifications are compiled for the spectra of scandium, Sc i through Scxxi. Selections of data are based on the critical evaluations in the compilation of energy levels by Sugar and Corliss.8 These are updated by a thorough search of the subsequent literature. All classifications are verified with predictions made by differencing the energy levels. Spectra are ordered by ionization stage and listed by wavelength. Two finding lists are included, one containing Sc i to Sc iii and the other Sc iv to Sc xxi.
Pressure and Density Series Equations of State for Steam as Derived from the Haar–Gallagher–Kell Formulation
Authors: Dobbins R. A. , Mohammed K. , Sullivan D. A.
Published: June 2010

Two equations of state for the properties of steam, which are in the form of power series in pressure and density, are developed from the HGK84 formulation. These equations are of high accuracy in the equilibrium region where extensive measurements exist. They also accurately represent the extrapolated data in the metastable region between the vapor saturation and spinodal lines. The accuracy of the representations as a function of the number of terms of the series is presented. Their greatest utility is their use for high accuracy calculations that involve small to moderate departures from ideal-gas behavior. Conversion relationships for the second through the tenth coefficients of the pressure and density series, which apply to the corresponding virial coefficients, are presented. The pressure and density expansions are advantageous for efficient numerical calculations of water vapor properties in the equilibrium and metastable regions.
Absolute Cross Sections for Molecular Photoabsorption, Partial Photoionization, and Ionic Photofragmentation Processes
Authors: Gallagher J. W. , Brion C. E. , Samson J. A. R. , Langhoff P. W.
Published: June 2010

A compilation is provided of absolute total photoabsorption and partial-channel photoionization cross sections for the valence shells of selected molecules, including diatomics (H2, N2, O2, CO, NO) and triatomics (CO2, N2O), simple hydrides (H2O, NH3, CH4), hydrogen halides (HF, HCl, HBr, HI), sulfur compounds (H2S, CS2, OCS, SO2, SF6), and chlorine compounds (Cl2, CCl4). The partial-channel cross sections presented refer to production of the individual electronic states of molecular ions and also to production of parent and specific fragment ions, as functions of incident photon energy, typically from ∼20 to 100 eV. Total photoabsorption cross sections above the first ionization threshold are reported from conventional optical measurements obtained using line and continuum sources and from ‘‘equivalent-photon’’ dipole (e,e) electron scattering experiments. Partial photoionization cross sections for production of electronic states of molecular ions are obtained from photoelectron spectroscopy and from dipole (e,2e) coincidence measurements. Photoionization mass spectrometry and dipole (e, e+ion) coincidence studies provide measurements of partial cross sections for ionic photofragmentation (i.e., dissociative photoionization). Photoelectron anisotropy factors, which together with electronic partial cross sections provide cross sections differential in photon energy and in ejection angle, are also reported. There is generally good agreement between cross sections measured by the physically distinct optical and dipole electron-impact methods. The cross sections and anisotropy factors also compare favorably with selected ab initio and model potential (X-alpha) calculations which provide a basis for interpretation of the measurements.
Standard Chemical Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons and Their Isomer Groups. II. Pyrene Series, Naphthopyrene Series, and Coronene Series
Authors: Alberty Robert A. , Chung Michael B. , Reif Andrea K.
Published: June 2010

The tables in our first paper on polycyclic aromatic hydrocarbons [J. Phys. Chem. Ref. Data 17, 241 (1988)] have been extended by calculating thermodynamic properties for the first four isomer groups in the pyrene series, the first three isomer groups in the naphthopyrene series, and the first three isomer groups in the coronene series. Successive isomer groups in each series differ by C4H2. Since chemical thermodynamic properties are known for only a limited number of polycyclic aromatic hydrocarbons, the properties of individual species have been estimated using Benson group values of Stein and Fahr for temperatures from 298.15 to 3000 K. Values of C○P , S°, Δf H°, and Δf G° have been calculated in joules for a standard state pressure of 1 bar. The chemical thermodynamic properties of the individual species have also been calculated. The isomer group values provide a basis for extrapolating to higher carbon numbers where it is not feasible to consider individual molecular species.
Octanol-Water Partition Coefficients of Simple Organic Compounds
Authors: Sangster James
Published: June 2010

Octanol-water partition coefficients (log P) for 611 simple organic compounds representing all principal classes have been retrieved from the literature. Available experimental details of measurement are documented from original articles. Pertinent thermodynamic relations are presented, with a discussion of direct and indirect methods of measurement. Reported log P data for each compound have been evaluated according to stated criteria, and recommended values (with uncertainty) are given.
Microwave Spectral Tables. III. Hydrocarbons, CH to C10H10
Authors: Lovas F. J. , Suenram R. D.
Published: June 2010

All of the rotational spectral lines observed and reported in the open literature for 91 hydrocarbon molecules have been tabulated. This isotopic molecular species, assigned quantum numbers, observed frequency, estimated measurement uncertainty and reference are given for each transition reported. In addition to correcting a number of misprints and errors in the literature cited, the spectral lines for many normal isotopic species have been refit to produce a comprehensive and consistent analysis of all the data extracted from various literature sources. The derived molecular properties, such as rotational and centrifugal distortion constants, hyperfine structure constants, electric dipole moments, and rotational g-factors are listed.
Toluene Thermophysical Properties from 178 to 800 K at Pressures to 1000 Bar
Authors: Goodwin Robert D.
Published: June 2010

The thermodynamic data for toluene have been evaluated and fit to a highly constrained, nonanalytic equation of state. Comparisons of the equation with the selected PVT and derived property data are given. Extensive tables are presented providing tabular values for coexisting liquid and vapor as well as for the single phase along isobars. The equation of state and tables cover the range from the triple point (178.15 K) to 800 K, with pressures to 1000 bar.
Standard Electrode Potentials and Temperature Coefficients in Water at 298.15 K
Authors: Bratsch Steven G.
Published: June 2010

A great deal of solution chemistry can be summarized in a table of standard electrode potentials of the elements in the solvent of interest. In this work, standard electrode potentials and temperature coefficients in water at 298.15 K, based primarily on the ‘‘NBS Tables of Chemical Thermodynamic Properties,’’ are given for nearly 1700 half-reactions at pH=0.000 and pH=13.996. The data allow the calculation of the thermodynamic changes and equilibrium constants associated with ∼1.4 million complete cell reactions over the normal temperature range of liquid water. Estimated values are clearly distinguished from experimental values, and half-reactions involving doubtful chemical species are duly noted. General and specific methods of estimation of thermodynamic quantities are summarized.
Rate Constants for the Quenching of Excited States of Metal Complexes in Fluid Solution
Authors: Hoffman Morton Z. , Bolletta Fabrizio , Moggi Luca , Hug Gordon L.
Published: June 2010

The rate constants for the quenching of the excited states of metal ions and complexes in homogeneous fluid solution are reported in this compilation. Values of kq for dynamic, collisional processes between excited species and quenchers have been critically evaluated, and are presented with the following information, among others, from the original publications, when available: description of the solution medium, temperature at which kq was determined, experimental method, range of quencher concentration used, lifetime of the excited state in the absence of quencher, activation parameters, quenching mechanism. Data collection is complete through the end of 1986, and covers the coordination compounds of 26 metals, including the ions and complexes of the inner- and outer-transition metals, and porphyrin complexes of nontransition metals. Data for 261 excited states quenched by more than 400 inorganic quenchers and 600 organic quenchers have been extracted from almost 500 publications. The introduction to the work contains a discussion of the conceptual background to quenching, including a general treatment of the kinetics, an explanation of the tables, and a list of recent review articles. Uncommon kinetics mechanisms and equations, used to obtain the reported values of kq, are discussed in detail as part of the notes to the tables. Indexes of excited states, quenchers, and authors are appended.
Thermal Conductivity of Refrigerants in a Wide Range of Temperature and Pressure
Authors: Krauss R. , Stephan K.
Published: June 2010

Thermal conductivities of refrigerant 12 (dichlorodifluoromethane), refrigerant 113 (1,1,2-trichloro-1,2,2-trifluoroethane), refrigerant 114 (1,2-dichloro-1,1,2,2-tetrafluoroethane), and refrigerant C318 (perfluorocyclobutane) were critically evaluated and correlated on the basis of a comprehensive literature survey. Recommended values were established for a wide range of temperatures and pressures, extending up to three times the critical density and excluding the critical region. Using the residual concept, a dilute-gas function and an excess function of simple form were developed for each refrigerant. The average accuracy obtained is ∼6%.
Reduction Potentials of One-Electron Couples Involving Free Radicals in Aqueous Solution
Authors: Wardman Peter
Published: June 2010

Reduction of an electron acceptor (oxidant), A, or oxidation of an electron donor (reductant), A2−, is often achieved stepwise via one-electron processes involving the couples A/A⋅− or A⋅−/A2− (or corresponding prototropic conjugates such as A/AH⋅ or AH⋅/AH2). The intermediate A⋅−(AH⋅) is a free radical. The reduction potentials of such one-electron couples are of value in predicting the direction or feasibility, and in some instances the rate constants, of many free-radical reactions. Electrochemical methods have limited applicability in measuring these properties of frequently unstable species, but fast, kinetic spectrophotometry (especially pulse radiolysis) has widespread application in this area. Tables of ca. 1200 values of reduction potentials of ca. 700 one-electron couples in aqueous solution are presented. The majority of organic oxidants listed are quinones, nitroaryl and bipyridinium compounds. Reductants include phenols, aromatic amines, indoles and pyrimidines, thiols and phenothiazines. Inorganic couples largely involve compounds of oxygen, sulfur, nitrogen and the halogens. Proteins, enzymes and metals and their complexes are excluded.
Energy Levels of Copper, Cu I through Cu XXIX
Authors: Sugar Jack , Musgrove Arlene
Published: June 2010

The energy levels of the copper atom, in all stages of ionization for which experimental data are available, have been compiled. Ionization energies, either experimental or theoretical, and experimental g-factors are given. Leading components of calculated eigenvectors are listed.
Cross Sections for Collisions of Electrons and Photons with Atomic Oxygen
Authors: Itikawa Y. , Ichimura A.
Published: June 2010

Data have been compiled on the cross sections for the collisions of electrons and photons with atomic oxygen (O). The processes considered are total scattering, elastic scattering, momentum transfer, excitations of electronic states (including fine structure levels of the ground state), ionization, and electron attachment. The cross-section data are presented graphically. Energy levels, transition probabilities and some other properties of atomic oxygen are summarized to aid understanding of the collision processes. The literature was surveyed through December 1988, but more recent data, if they are available to the authors, are included also.
Refractive index of water and steam as function of wavelength, temperature and density
Authors: Schiebener P. , Straub J. , Levelt Sengers J. M. H. , Gallagher J. S.
Published: June 2010

Based on a comprehensive collection of data previously obtained by Thormählen et al. on the experimental refractive index of water and steam from the 1870s to the present, a new formulation is presented for the range of 0.2 to 2.5 μm in wave-length, −10 to +500 °C in temperature and 0 to 1045 kg m−3 in density. The Lorentz-Lorentz function or molar refraction, a strong function of wavelength but only weakly dependent on density and temperature, is fitted to a selected set of accurate refractive index data. The NBS/NRC equation of state for water and steam, the new international standard, is used to convert the experimental pressures to density.

The deviations of all experimental data from the formulation are shown. A detailed assessment of the accuracy of the formulation is presented. Although the formulation does not represent to within their accuracy the data from the best sets in the visible range for liquid water below the boiling point, we show that inconsistencies between data sets, and minor deficiencies of the equation of state, prevent further improvement of a formulation based on data over as wide a range as considered here. It is shown that the best refractive index data can be used to discriminate between the various formulations of the equation of state of water and steam. It is demonstrated that several recent formulations of optical properties of liquid water over large ranges of wavelength need improvement in the range covered here. The new formulation is used to generate tables of the refractive index of water and steam at six wavelengths in the visible, near-infrared and near-ultraviolet, from 0 to 500 °C and up to 100 MPa in pressure.
Transport Properties of Fluid Oxygen
Authors: Laesecke A. , Krauss R. , Stephan K. , Wagner W.
Published: June 2010

Supplementing the recently completed IUPAC tables for the thermodynamic properties of oxygen, this paper presents a data evaluation of the transport properties, viscosity, and thermal conductivity. From a comprehensive literature survey the available data have been complied, and their quality was assessed. Selected measurements were correlated to generate skeleton tables of the most reliable data along the vapor-liquid coexistence curve and for the fluid region at pressures from 0.1 to 100 MPa and at temperatures from 70 to 1400 K. The set of correlations which was developed includes residual concept formulations as well as transport equations of state. These allow the direct calculation of viscosities and thermal conductivities from pressure and temperature as input variables. The simplified crossover model was employed to represent the enhancement of the thermal conductivity in the critical region.
Thermal Conductivity of Nine Polyatomic Gases at Low Density
Authors: Uribe F. J. , Mason E. A. , Kestin J.
Published: June 2010

We present a complete set of easily programmable computer algorithms, and a set of numerical tables, for the thermal conductivities of the nine gases: N2, O2, NO, CO, CO2, N2O, CH4, CF4, and SF6. This complements our earlier corresponding-states work on the equilibrium and transport properties of these gases [J. Phys. Chem. Ref. Data 16, 445 (1987); 17, 255 (1988)]. The results embrace the temperature range from T*=kT/ε=1 up to a nominal upper limit of 3000 K. The accuracy achieved is specified, and the correlation can be used in a predictive mode.
Coupled Phase Diagram-Thermodynamic Analysis of the 24 Binary Systems, A2CO3-AX and A2SO4-AX Where A=Li, Na, K and X=Cl, F, NO3, OH
Authors: Dessureault Yves , Sangster James , Pelton Arthur D.
Published: June 2010

A complete bibliographic search for all thermodynamic and phase diagram data on the 24 binary system A2CO3-AX and A2SO4-AX (where A=Li, Na, K, and X=F, Cl, OH, NO3) was carried out. A computer-assisted simultaneous evaluation of all data was performed in order to obtain optimized equations for the thermodynamic properties of the phases. A re-evaluation of the thermodynamic data for several of the pure salts was also carried out. The optimized thermodynamic parameters are reported as well as the phase diagrams calculated from these equations. These are considered to be the best evaluated phase diagrams which can be deduced from the data currently available. Estimated error limits of all binary assessments are given.
Critical Compilation of Surface Structures Determined by Ion Scattering Methods
Authors: Watson Philip R.
Published: June 2010

This review critically compiles all surface structures derived by ion-scattering techniques reported in the refereed literature prior to January 1988. They are compared with the more extensive low-energy electron diffraction database reported previously [J. Phys. Chem. Ref. Data 16, 953 (1957)]. These investigations cover all types of surfaces including clean and adsorbate-covered metal, semiconductor, and other nonmetallic substrates. The important experimental and theoretical aspects of such investigations have been extracted into easily understood tabular form supplemented by many figures and ancillary tables and complete references. It is hoped that this compilation will provide a valuable resource both for the surface science specialist and for those nonspecialists in other areas who need surface crystallographic data.
The Transport Properties of Carbon Dioxide
Authors: Vesovic V. , Wakeham W. A. , Olchowy G. A. , Sengers J. V. , Watson J. T. R. , Millat J.
Published: June 2010

The paper contains new, representative equations for the viscosity and thermal conductivity of carbon dioxide. The equations are based in part upon a body of experimental data that have been critically assessed for internal consistency and for agreement with theory whenever possible. In the case of the low-density thermal conductivity at high temperatures, all available data are shown to be inconsistent with theoretical expectation and have therefore been abandoned in favor of a theoretical prediction. Similarly, the liquid-phase thermal conductivity has been predicted owing to the small extent and poor quality of the experimental information. In the same phase the inconsistencies between the various literature reports of viscosity measurements cannot be resolved and new measurements are necessary. In the critical region the experimentally observed enhancements of both transport properties are well represented by theoretically based equations containing just one adjustable parameter. The complete correlations cover the temperature range 200 K≤T<1500 K for viscosity and 200 K≤T≤1000 K for thermal conductivity, and pressures up to 100 MPa. The uncertainties associated with the correlation vary according to the thermodynamic state from ±0.3% for the viscosity of the dilute gas near room temperature to ±5% for the thermal conductivity in the liquid phase. Tables of the viscosity and thermal conductivity generated by the representative equations are provided to assist with the confirmation of computer implementations of the calculation procedure.
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase Volume II
Authors: Domalski Eugene S. , Hearing Elizabeth D.
Published: June 2010

This compilation of data on the heat capacities, entropies, and phase transitions of organic compounds in the condensed phase supplements the document published earlier on this subject, namely, ‘‘Heat Capacities and Entropies of Organic Compounds in the Condensed Phase’’ by E. S. Domalski, W. H. Evans, and E. D. Hearing, J. Phys. Chem. Ref. Data, 13, Suppl. 1, (1984). It provides data on approximately 1300 organic compounds. About half of the articles examined contain data published prior to 1982. A total of 565 articles have been examined, evaluated, and referenced. In addition to values for the heat capacity and entropy at 298.15 K, phase transitions for solid/solid, solid/liquid, and in some instances, solid/gas and liquid/gas are tabulated as encountered from the articles examined and evaluated.
Chemical Kinetic Data Base for Combustion Chemistry Part V. Propene
Authors: Tsang Wing
Published: June 2010

This publication contains evaluated and estimated data on the kinetics of reactions involving propene and allyl radical and various small inorganic and organic species which are of importance for the proper understanding of the early stages of propene and the intermediate stages of propane and isobutane combustion and pyrolysis. It is meant to be used in conjunction with the kinetic data given in earlier publications, which is of direct pertinence to the understanding of methane, ethane, methanol, propane and isobutane pyrolysis and combustion, but which also contains a large volume of data that are applicable to the propene system. The temperature range covered is 300–2500 K and the density range 1×1016 to 1×1021 molecules cm−3.
Heat capacities of organic compounds in liquid state II. C1 to C18 n-alkanes
Authors: Růžička Vlastimil , Zábranský Milan , Majer Vladmír
Published: June 2010

Heat capacities of liquid C1 to C18 n-alkanes measured by calorimetric methods have been compiled and evaluated. The selected experimental data were fitted as a function of temperature with cubic splines using weighted least squares minimization. The parameters of the cubic spline polynomials and the recommended values for heat capacities are presented. Heat capacities were also fitted by a quasipolynomial equation permitting extrapolation of heat capacities outside the temperature range of experimental values.
Critical evaluation of liquid crystal transition temperatures I: 4,4′-alkyl/alkoxyphenylbenzoates
Authors: Blair Terence T. , Neubert Mary E. , Tsai Mitchell , Tsai Chun-che
Published: June 2010

Transition temperatures for 367 straight chain 4,4′-alkyl/alkoxyphenylbenzoates (through Nov. 1990) have been compiled and critically evaluated. Information was obtained wherever possible, with the exception of the patent literature, and examined for editorial coherency. Line graphs of the melting and clearing temperatures were plotted as a function of the chain length of either side, while holding constant the other side, and evaluated for consistency, particularly for the persistence of the odd–even alternation in the clearing curve. It became apparent that major breaks in this curve indicated errors in the data which, when corrected, restored the alternating curve. Mesophase identification was reviewed by evaluating bar graphs and block diagrams. Usually, a given phase appeared first in a monotropic form, then in an enantiotropic form, and finally disappeared without reappearing in the series. Further evaluation of the data suggested that a number of phases have been missed. Evaluated transition temperatures are available on 39 dialkyl, 91 alkyl/alkoxy, 100 alkoxy/alkyl, and 137 dialkoxy compounds. Enthalpies for 93 of the esters are also included.
Kinetics and Mechanisms of the Gas-Phase Reactions of the NO3 Radical with Organic Compounds
Authors: Atkinson Roger
Published: June 2010

A substantial data base concerning the rate constants for the gas-phase reactions of the nitrate (NO3) radical with organic compounds is now available, with rate constants having been determined using both absolute and relative rate methods. To date, the majority of these kinetic date have been obtained at room temperature using relative rate techniques utilizing both the reactions of the NO3 radical with other organic compounds and the equilibrium constant for the NO3+NO2⇄N2O5 reactions as the reference reaction. In this article, the literature kinetic and mechanistic data for the gas-phase reactions of the NO3 radical with organic compounds (through late 1990) have been tabulated, reviewed and evaluated. While this available data base exhibits generally good agreement and self-consistency, further absolute rate data are needed, preferably as a function of temperature. Most importantly, mechanistic and product data for the reactions of the NO3 radical with organic compounds need to be obtained.
Cross Sections and Swarm Coefficients for Nitrogen Ions and Neutrals in N2 and Argon Ions and Neutrals in Ar for Energies from 0.1 eV to 10 keV
Authors: Phelps A. V.
Published: June 2010

Graphical and tabulated data and the associated bibliography are presented for cross sections for elastic, excitation, and ionization collisions of N+, N+2, N, and N2 with N2 and for Ar+ and Ar with Ar for laboratory energies from 0.1 eV to 10 keV. Where appropriate, drift velocities and reaction or excitation coefficients are calculated from the cross sections and recommended for use in analyses of swarm experiments and electrical discharges. In the case of N+ in N2, cross sections for momentum transfer, charge transfer, electronic excitation, and electron production are recommended. Drift velocity calculations predict runaway for N+ in N2 for electric field to gas density ratios E/n greater than 4.3×103 Td, where 1 Td (townsend)=10−21 V m2. For N+2 in N2, the cross sections include those for N+ and N+3 formation, electronic excitation, and electron production. Drift velocities and average cross sections are calculated for E/n≥500 Td. In the case of N in N2, only cross sections for momentum transfer are recommended. For N2 in N2, cross sections for momentum transfer, electronic excitation, and electron production are recommended. Collisions of electronically excited states with N2 are not included. For Ar+ in Ar, cross sections for charge transfer, electronic excitation, and electron production are recommended. For Ar in Ar, cross sections for momentum transfer, electronic excitation, and electron production are recommended.
Chemical Kinetic Data Base for Propellant Combustion I. Reactions Involving NO, NO2, HNO, HNO2, HCN and N2O
Authors: Tsang Wing , Herron John T.
Published: June 2010

This publication contains evaluated chemical kinetic data on a number of single step elementary reactions involving small polyatomic molecules which are of importance in propellant combustion. The work involves the collection and evaluation of mechanistic and rate information and the use of various methods for the extrapolation and estimation of rate data where information does not exist. The conditions covered range from 500–2500 K and 1017–1022 particles/cm3. The results of the first years effort lead to coverage of all pertinent reactions of the following species; H, H2, H2O, O, OH, OCHO, CHO, CO, NO, NO2, HNO, HNO2, HCN, and N2O.
Solubilities of Solids and Liquids of Low Volatility in Supercritical Carbon Dioxide
Authors: Bartle K. D. , Clifford A. A. , Jafar S. A. , Shilstone G. F.
Published: June 2010

A table is given of the compounds of low volatility, whose experimental solubilities in supercritical carbon dioxide have been published up to the end of 1989, with the temperature and pressure ranges of the experimental measurements, the experimental method, and references to the source of data. The data for pure compounds, which were presented in tabular form in the original publications, are shown in a series of figures along with correlation lines for each isotherm. The method of correlation was to fit the experimental data for each isotherm, in the form of the natural logarithm of the product of mole fraction and pressure, to a linear function of density above a pressure of 100 bars. The constants obtained from the fitting procedures are given in a table. Procedures for estimating, from these constants, the solubilities of the compounds at temperatures and pressures different from those of the experimental data are suggested.
Thermodynamic Properties of Oxygen from the Triple Point to 300 K with Pressures to 80 MPa
Authors: Stewart Richard B. , Jacobsen Richard T , Wagner W.
Published: June 2010

A joint project by the authors has resulted in two new thermodynamic property formulations for oxygen. The fundamental equation explicit in Helmholtz energy by Schmidt and Wagner has been used for the calculation of the property tables presented here, and for comparisons of calculated properties to the experimental data. The formulation of Stewart and Jacobsen is used in this paper in comparisons of properties calculated by the two formulations. These comparisons provide the basis for independent assessment of the accuracy of the available data and calculated properties. The procedures used in determining the formulations by Wagner and Schmidt, and by Stewart and Jacobsen were published earlier. The fundamental equation is valid for thermodynamic properties of oxygen from the freezing line to 300 K at pressures to 80 MPa. A separate vapor pressure equation and equations for the saturated liquid and saturated vapor densities and the ideal gas heat capacity are included. Functions for calculating internal energy, enthalpy, entropy, isochoric heat capacity (Cv), isobaric heat capacity (Cp) and velocity of sound are also included. Tables of thermodynamic properties of oxygen are given within the range of validity of the fundamental equation. The fundamental equation reported here may be used to calculate densities with an uncertainty of 0.10 percent, heat capacities within 2.0 percent, and velocity of sound values within 1.0 percent. These uncertainty values are valid for the range outside of the critical region. Comparisons of calculated properties to experimental data are included to verify the accuracy of the formulation.
The Solubility of Carbon Dioxide in Water at Low Pressure
Authors: Carroll John J. , Slupsky John D. , Mather Alan E.
Published: June 2010

The system carbon dioxide-water is of great scientific and technological importance. Thus, it has been studied often. The literature for the solubility of carbon dioxide in water is vast and interdisciplinary. An exhaustive survey was conducted and approximately 100 experimental investigations were found that reported equilibrium data at pressures below 1 MPa. A model based on Henry’s law was used to correlate the low pressure data (those up to 1 MPa). The following correlation of the Henry’s constants (expressed on a mole fraction basis) was developed ln(H21/MPa)=−6.8346+1.2817×104/T−3.7668×106/T2 +2.997×108/T3 The correlation is valid for 273<T<433 K(0<t<160 °C) where T is in K. Any experimental data that deviated significantly from this model were duly noted.
Atomic Weights of the Elements 1989
Authors: De Laeter J. R. , Heumann K. G.
Published: June 2010

The biennial review of atomic weight, A_r(E), determinations, and other cognate data has resulted in changes for nickel from 58.69±0.01 to 58.6934±0.0002 and for antimony from 121.75±0.03 to 121.757±0.003 due to new calibrated measurements. Because the measurement of the isotopic composition of mercury has also been improved during the last two years, the Commission was able to reduce the uncertainty of the atomic weight of this element from 200.59±0.03 to 200.59±0.02. Due to the nearly constant isotopic composition of protactinium in nature, where 231Pa is the predominant isotope, the atomic weight of this element was fixed to 231.03588±0.000 02. The Table of Isotopic Compositions of the Elements 1989 will be published as a companion paper to that on Atomic Weights of the Elements 1989. The Table of Standard Atomic Weights Abridged to Five Significant Figures and current data on isotopic compositions of nonterrestrial material are included to benefit users who are more concerned with the length of time during which a given table has full validity to the precision limit of their interest. The Table of Atomic Weights to Four Significant Figures was prepared and has been published separately.
Spectroscopy and Structure of the Alkali Hydride Diatomic Molecules and their Ions
Authors: Stwalley William C. , Zemke Warren T. , Yang Sze Cheng
Published: June 2010

All significant experimental measurements and theoretical calculations of the spectroscopy and structure of the alkali hydrides NaH, KH, RbH, and CsH, and the corresponding alkali deuterides, are identified and reviewed. Published molecular constant determinations from conventional and laser spectroscopy are evaluated; recommended spectroscopic constants for X 1Σ+ and A 1Σ+ states are tabulated. RKR and hybrid potential energy curves are evaluated; recommended RKR curves for X 1Σ+ and A 1Σ+ states are tabulated. Ground state dissociation energy (De) estimates are evaluated; recommended X 1Σ+ and A 1Σ+ state De and D0 values are tabulated. Accurate electronic structure calculations (Hartree–Fock or better) are listed and described briefly; all excited electron states considered are included. Experimental and theoretical radiative and dipole properties are noted and discussed. Calculations on the positive and negative ions of the four diatomic alkali hydrides are also listed and described briefly.
Laser-Induced Kerr Constants for Pure Liquids
Authors: Harrison N. J. , Jennings B. R.
Published: June 2010

During the past two decades an increasing number of publications have reported laser-induced birefringence data for pure liquids. To date there has been no comparative collection of values from these experiments. This paper lists the published values together with hitherto unpublished data of the authors of the optically induced Kerr constant B0. The normalized parameter Brel for data compared with benzene under stated wavelength conditions of the light used for the measurements is also given.
Collisions of H+, H2+, H3+, ArH+, H−, H, and H2 with Ar and of Ar+ and ArH+ with H2 for Energies from 0.1 eV to 10 keV
Authors: Phelps A. V.
Published: June 2010

Graphical and tabulated data and the associated bibliography are presented for cross sections for elastic, excitation, and ionization collisions of H+, H+2, H+3, ArH+, H−, H, and H2 with Ar and of Ar+ and ArH+ with H2 for laboratory energies from 0.1 eV to 10 keV. Where appropriate, drift velocities and reaction or excitation coefficients are calculated from the cross sections and are recommended for use in analyses of swarm experiments and electrical discharges. In the case of H+ in Ar, cross sections for momentum transfer, charge transfer, electronic excitation, and electron production are recommended. Drift velocity calculations predict runaway for H+ in Ar for electric field to gas density ratios E/n greater than 4.3×10−18 V m2. For H+2 in Ar, the cross sections include those for ArH+ formation, charge transfer, electronic excitation, and electron production. Drift velocities and average cross sections are calculated versus E/n. In the case of ArH+ collisions with Ar, only cross sections for ion molecule reactions are recommended. For H− collisions with Ar only collisional detachment data is available. Momentum transfer, electronic excitation, and electron production cross section data are available for collisions of H with Ar. Collisions of H with Ar are of special interest because of the very large cross sections for excitation of the H atoms at low energies. For H2 in Ar cross sections for momentum transfer and excitation of the Hα and Hβ lines are recommended. For Ar+ collisions with H2, cross sections for charge transfer and ion molecule reactions are recommended. Cross sections for proton transfer are available for ArH+ in H2.
Evaluated Kinetic and Photochemical Data for Atmospheric Chemistry: Supplement IV. IUPAC Subcommittee on Gas Kinetic Data Evaluation for Atmospheric Chemistry
Authors: Atkinson R. , Baulch D. L. , Cox R. A. , Hampson R. F. , Kerr J. A. , Troe J.
Published: June 2010

This paper updates and extends previous critical evaluations of the kinetics and of gas phase of neutral species involved in atomosphere chemistry [J. Phys. Chem. Ref. Data 9, 295 (1980); 11, 327 (1982); 13, 1259 (1984); 18, 881 (1989)]. The work has been carried out by the authors under the auspices of the IUPAC Subcommittee on Gas Phase Kinetic Data Evaluation for Data sheets have been prepared for 489 thermal and containing summaries of the available experimental data with notes giving details of the experimental procedures. For each a preferred value of the rate coefficient at 298 K is given together with a dependence where possible. The selection of the preferred value is discussed, and estimates of the accuracies of the rate coefficients and coefficients have been made for each The data sheets are intended to provide the basic data needed as input for calculations which model A table summarizing the preferred rate data is provided, together with an appendix listing the available data on of the reactant and product species.
Quantum Yields for the Photosensitized Formation of the Lowest Electronically Excited Singlet State of Molecular Oxygen in Solution
Authors: Wilkinson Francis , Helman W. Phillip , Ross Alberta B.
Published: June 2010

Quenching of excited singlet and triplet states of many substances by ground state molecular oxygen produces singlet oxygen, the lowest electronically excited singlet state of molecular oxygen, O2(1Δg). The fractions of singlet and triplet states quenched which produce singlet oxygen and the quantum yields of formation of singlet oxgyen in fluid solutions have been critically compiled. Methods for determination yield parameters have been reviewed. Data have been compiled from the literature through 1991. Photosensitizers such as aromatic hydrocarbons, aromatic ketones and thiones, quinones, coumarins, fluoresceins, transition metal complexes, and heterocyclics are included in Table 1. Porphyrins and phthalocyanines are included in Table 2. Other materials which have been investigated for singlet oxygen production, such as dyes and drugs, are collected in Table 3 along with heterogeneous systems such as polymer-bound photosensitizers.
Thermodynamic Properties of the Group IIA Elements
Authors: Alcock C. B. , Chase M. W. , Itkin V. P.
Published: June 2010

The thermodynamic properties of the alkaline earth metals in the condensed state have been critically reassessed, and recommended valued for all of the relevant thermodynamic properties are given. These values are compared with those published in recent reviews by the staff at the Institute for High Temperatures (Moscow) and the National Bureau of Standards (Washington, DC), and the reasons for any differences are discussed in detail. A direct result of this review is a set of recommendations for experimental studies which should enhance the reliability of the thermodynamic results. The properties considered are: temperatures and enthalpies of phase transformation and fusion, heat capacities from 0 K to 2000 K, the Debye temperatures, and electronic heat capacity coefficients at absolute zero temperature.
Thermodynamics of Enzyme-Catalyzed Reactions: Part 1. Oxidoreductases
Authors: Goldberg Robert N. , Tewari Yadu B. , Bell Donna , Fazio Kari , Anderson Ellen
Published: June 2010

Equilibrium constants and enthalpy changes for reactions catalyzed by oxidoreductases have been compiled. 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 an evaluation of it; and, sometimes, commentary on the data and on any corrections which have been applied to it. The thermodynamic conventions pertinent to the tabulation of equilibrium data are discussed. A distinction is made between those thermodynamic quantities which pertain to the overall biochemical reaction and those which pertain to a reference reaction that involves specific species. The data from 205 references have been examined and evaluated. Chemical Abstract Service Registry Numbers have been assigned to the substances involved in these various reactions. There is a cross reference between the substances and the Enzyme Commission numbers of the enzymes used to catalyze the reactions in which the substances participated.
Heat Capacity of Liquid n-Heptane Converted to the International Temperature Scale of 1990
Authors: Zábranský Milan , Růžička Vlastimil
Published: June 2010

Heat capacities of liquid n-heptane, that is the recommended calorimetric reference material, have been converted to the International Temperature Scale of 1990 (ITS-90) and new reference data have been generated. Raw experimental data measured at the National Bureau of Standards, Washington and at the Bureau of Mines, Bartlesville have been critically selected from a large compilation of liquid heat capacity data. A joint correlation of the converted data has been performed. Sets of reference data are presented for both the saturation and the isobaric heat capacities in the range fro 182.6 to 480 K. Parameters of a correlating equation and tables of heat capacities are provided.
An International Standard Equation of State for the Thermodynamic Properties of Refrigerant 123 (2,2-Dichloro-1,1,1-Trifluoroethane)
Authors: Younglove Ben A. , McLinden Mark O.
Published: June 2010

A modified Benedict–Webb–Rubin (MBWR) equation of state has been developed for Refrigerant 123 (2,2-dichloro-1,1,1-trifluoroethane) based on recently measured thermodynamic property data and data available from the literature. Single-phase pressure-volume-temperature (PVT), heat capacity, and sound speed data, as well as second virial, vapor pressure, and saturated liquid and saturated vapor density data, were used with multiproperty linear least squares fitting techniques to fit the 32 adjustable coefficients of the MBWR equation. Coefficients for the equation of state and for ancillary equations representing the vapor pressure saturated liquid and saturated vapor densities, and ideal gas heat capacity are given. While the measurements cover differing ranges of temperature and pressure, the MBWR formulation is applicable along the saturation line and in the liquid, vapor, and supercritical regions at temperatures from 166 to 500 K with pressures to 40 MPa and densities to 11.6 mol/L (1774 kg/m3). This formulation has been selected as an international standard based on an evaluation of the available equations of state by a group working under the auspices of the International Energy Agency.
Review of Vapor to Liquid Homogeneous Nucleation Experiments from 1968 to 1992
Authors: Heist Richard H. , He Honghai
Published: June 2010

A comprehensive review of the vapor to liquid homogeneous nucleation experiment literature from 1968 to 1992 is presented. The review identifies and presents in tabular format experimental nucleation data dealing specifically with: (1) critical supersaturation measurements in both unary and binary systems; (2) nucleation rate measurements in both unary and binary systems; (3) photoinduced nucleation experiments; and, (4) ion-induced nucleation experiments. The data tables identify the substance under investigation; the experimental method used in each investigation; the background gas and, when available, the pressure range of the background gas used in each investigation; a brief summary of the key results of each investigation; and literature references where more detailed information concerning each investigation can be found. The review contains a brief description of the operation of the experimental devices referenced in the tables. The review also contains an assessment of the various experimental devices currently capable of quantitative nucleation rate measurements.
A Critical Evaluation of the Thermophysical Properties of Mercury
Authors: Holman G. J. F. , ten Seldam C. A.
Published: June 2010

For the use of a mercury column for precise pressure measurements—such as the pressurized 30 meter mercury-in-steel column used at the Van der Waals–Zeeman Laboratory for the calibration of piston gauges up to nearly 300 MPa—it is highly important to have accurate knowledge of such properties of mercury as density, isobaric secant and tangent volume thermal expansion coefficients, and isothermal secant and tangent compressibilities as functions of temperature and pressure. In this paper we present a critical assessment of the available information on these properties. Recommended values are given for the properties mentioned and, in addition, for properties derived from theses such as entropy, enthalpy, internal energy, and the specific heat capacities.
Thermodynamic Properties of Xenon from the Triple Point to 800 K with Pressures up to 350 MPa
Authors: S̆ifner O. , Klomfar J.
Published: June 2010

A thermodynamic property formulation by Jůza has been tested in detail against available experimental data. The reliability of the formulation has been determined Deviations of experimental and calculated data are generally within the limits of experimental accuracy. This article includes a survey of available experimental data and equations of state, a fundamental equation for xenon explicit in dimensionless Helmholtz energy as a function of reduced density and temperature, the values of its constants and coefficients, relations for computation of derived thermodynamic quantities, detailed comparison with experimental data, tables of thermodynamic functions calculated with the present formulation for the fluid state within the range of its validity for the single-phase region, along the saturation curve and for the critical region.
A Modified Benedict–Webb–Rubin Equation of State for the Thermodynamic Properties of R152a (1,1-difluoroethane)
Authors: Outcalt Stephanie L. , McLinden Mark O.
Published: June 2010

A modified Benedict–Webb–Rubin (MBWR) equation of state has been developed for R152a (1,1-difluoroethane). The correlation is based on a selection of available experimental thermodynamic property data. Single-phase pressure–volume–temperature (PVT), heat capacity, and sound speed data, as well as second virial coefficient, vapor pressure, and saturated liquid and saturated vapor density data, were used with multi-property linear least-squares fitting to determine the 32 adjustable coefficients of the MBWR equation. Ancillary equations representing the vapor pressure, saturated liquid and saturated vapor densities, and the ideal gas heat capacity were determined. Coefficients for the equation of state and the ancillary equations are given. Experimental data used in this work covered temperatures from 162 K to 453 K and pressures to 35 MPa. The MBWR equation established in this work may be used to predict thermodynamic properties of R152a from the triple-point temperature of 154.56 K to 500 K and for pressures up to 60 MPa except in the immediate vicinity of the critical point.
Liquid–Liquid Demixing from Solutions of Polystyrene. 1. A Review. 2. Improved Correlation with Solvent Properties
Authors: Imre Attila , Van Hook W. Alexander
Published: June 2010

Low pressure liquid–liquid demixing data for polystyrene dissolved in 76 different one-component solvent systems are reviewed and correlated. The phase diagrams are discussed. With only one exception the molecular weight of each solvent is less than that of two polystyrene monomer units. A new relation is developed which quantitatively correlates the area of solubility lying between the UCS and LCS demixing curves in the (Tc, Mw−1/2) projection with solvent solubility parameters.