Showing papers in "Journal of Physical and Chemical Reference Data in 1992"

Evaluated Kinetic Data for Combustion Modelling

Abstract: This compilation contains critically evaluated kinetic data on elementary homogeneous gas phase chemical reactions for use in modelling combustion processes Data sheets are presented for some 196 reactions Each data sheet sets out relevant thermodynamic data, rate coefficient measurements, an assessment of the reliability of the data, references, and recommended rate parameters Tables summarizing the preferred rate data are also given The reactions considered are limited largely to those involved in the combustion of methane and ethane in air but a few reactions relevant to the chemistry of exhaust gases and to the combustion of aromatic compounds are also included

Thermodynamic Properties of the NaCl+H2O System. II. Thermodynamic Properties of NaCl(aq), NaCl⋅2H2(cr), and Phase Equilibria

Abstract: Equations that described the thermodynamic properties of the NaCl+H2O system were obtained from a fit to experimental results for this system. The experimental results included in the fit spanned the range of temperature of approximately 250 to 600 K and, where available, the range of pressure from the vapor pressure of the solution to 100 MPa. New equations and/or values for the following properties are given in the present work: 1) ΔfG0m and ΔfH0m, for formation from the elements, for NaCl(cr) for 298.15 K and 0.1 MPa, 2) ΔfG0m and ΔfH0m from the elements, as well as S0m and C0p,m, all for 298.15 K, 0.1MPa, for NaCl⋅2H2O(cr), 3) the change in chemical potential for both NaCl and H2O in NaCl(aq) as a function of temperature, pressure, and molality, valid from 250 to 600 K and, where available, from the vapor pressure of the solution to 100 MPa. Comparison of the accuracies of experimental methods, where possible, has also been performed.

Franck–Condon Factors, r‐Centroids, Electronic Transition Moments, and Einstein Coefficients for Many Nitrogen and Oxygen Band Systems

Abstract: Air fluorescence models require accurate Franck–Condon factors and Einstein coefficients for analyzing the intensities of N2, N+2, and O+2 emissions produced by electron bombardment of air, such as in the aurora, high‐altitude nuclear explosions, and rocket‐borne electron gun experiments. In our previous report, improved vibrational and rotational constants based on the latest available spectroscopic measurements for several excited and ionic states important in air fluorescence modeling were derived. These constants have been used in the present work to calculate band origins, Franck–Condon factors, and r‐centroids for many band systems of nitrogen and oxygen. These results, together with electronic transition moments obtained from published papers or derived here from published emission data and measured upper‐state lifetimes, have been used to compute Einstein coefficients by the r‐centroid method. Einstein coefficients by integration of the product of the electronic transition moment function and vibr...

Chemical Kinetic Data Base for Propellant Combustion. II. Reactions Involving CN, NCO, and HNCO

Abstract: This paper contains evaluated chemical kinetic data on single step elementary reactions involving small polyatomic molecules which are of importance in propellant combustion. The work consists of 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 cm−3. The results of the second year’s effort add to the existing data base reactions involving CN, NCO, and HNCO with each other and the following species: H, H2, H2O, O, OH, HCHO, CHO, CO, NO, NO2, HNO, HNO2, HCN, and N2O.

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

Abstract: Graphical and tabulated data and the associated bibliography are presented for cross sections for elastic, excitation, and ionizationcollisions 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− 1 8 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.

The Solubility of Some Sparingly Soluble Salts of Zinc and Cadmium in Water and in Aqueous Electrolyte Solutions

Abstract: The literature on the solubility of the sparingly soluble inorganic salts of zinc and cadmium in water and in aqueous electrolyte solutions has been reviewed. The solubility data have been compiled and evaluated. Recommended or tentative values of the solubilities and the solubility products have been given when warrented. Auxiliary thermodynamic and crystallographic data useful in the interpretation of solubility data are given. For the many zinc and cadmium substances for which only limited solubility data are available, unevaluated values are given in an annotated bibliography with emphasis on solubility data published since 1950.

Vibrational Bands of HxNyOz Molecules

Abstract: A compilation of experimental data is presented which covers all known molecular species fitting the 1Hx14Ny16Oz ( y,z≠0) chemical formula. The vibrational bands of these compounds in gas, liquid, solid, and matrix are listed together with their assignments and the relevant references. Most of the literature before October 1991 is covered.

A Critical Compilation of Atomic Transition Probabilities for Singly Ionized Argon

Abstract: We have critically compiled the atomic transition probabilities of Ar ii lines by combining recent high‐accuracy lifetime data with branching‐ratio emission measurements We present several comparisons of the various literature data, including theoretical results, and we discuss our assessment procedure in detail On the basis of this procedure, we present an extension list of critically evaluated transition probabilities with uncertainty estimates

Thermodynamic Properties of the NaCl+H2O System l. Thermodynamic Properties of NaCl(cr)

Abstract: The available experimental thermoydnamic data for NaCl(cr) have been fitted in order to generate thermodynamic values as a function of temperature and for a nominal pressure of 0.1 MPa. Thermal measurements (heat‐capacity values and enthalpy‐increment values) have been fitted with a new method. The fitted function and calculated thermodynamic values are given. Estimates of the inaccuracies of the calculated thermodynamic values are also given.

Spectral Data and Grotrian Diagrams for Highly Ionized Vanadium, V VI through V XXIII

Abstract: Wavelengths, energy levels, level designations, oscillator strengths, and atomic transition probabilities for the vanadium ions V VI to V XXIII are tabulated. A short review of the line identifications and wavelength measurements is given for each stage of ionization. Grotrian diagrams are also presented to provide graphical overviews. The literature has been surveyed to September 1991.

Spectral Data and Grotrian Diagrams for Highly Ionized Cobalt, Co VIII through Co XXVII

Abstract: Wavelengths, energy levels, level classifications, oscillator strengths, and atomic transition probabilities for the cobalt ions Co VIII to Co XXVII are tabulated. A short review is given for the wavelength measurements on each stage of ionization. Grotrian diagrams are also presented to provide graphical overviews. The literature has been surveyed to March 1990.

Laser‐Induced Kerr Constants for Pure Liquids

Abstract: 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.

Critical Compilation of Surface Structures Determined by Surface Extended X‐Ray Absorption Fine Structure (SEXAFS) and Surface Extended Electron Energy Loss Spectroscopy (SEELFS)

Abstract: This review critically compiles all surface structures derived by the technique of surface extended x‐ray absorption fine‐structure spectroscopy (SEXAFS) and surface electron energy loss fine‐structure spectroscopy (SEELFS) reported in the refereed literature prior to January 1990. They are compared with the extensive low‐energy electron diffraction (LEED) [P. R. Watson, J. Phys. Chem. Ref. Data 16, 953 (1987)] and ion scattering databases [P. R. Watson, J. Phys. Chem. Ref. Data 19, 85 (1990)] previously reported. 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.