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Journal of Physical and Chemical Reference Data (JPCRD)

The following articles are published from Volume 27-1 through Volume 27-6 of the JPCRD. Also listed are additional articles which have completed the review process. These latter articles are ready for typesetting and will be assigned to a specific issue at a later time. Monographs and Supplements to the Journal, which are articles too lengthy for a typical issue, are published separately. A listing of all monographs and supplements is provided.

Contents

Articles to be Published

Volume 27, No. 6, 1998
Volume 27, No. 5, 1998
Volume 27, No. 4, 1998
Volume 27, No. 3, 1998
Volume 27, No. 2, 1998
Volume 27, No. 1, 1998

NIST-JANAF Thermochemical Tables, Fourth edition

JPCRD - Vol. 29, 2000
JPCRD - Vol. 28, 1999
JPCRD - Vol. 26, 1997
JPCRD - Vol. 25, 1996


Articles Published in Volume 27

Volume 27, No. 6, 1998

Tables of Elastic Scattering Cross Sections of Photons in the Energy Range 50 keV to 1500 keV for All Elements in the Range 13 Z 104,   p. 1011

B.K. Chatterjee and S.C. Roy

Tables of differential and total elastic scattering cross sections for 93 elements and for selected photon energies have been presented. The available experimental results are also compared with the tabulated values and the difference is presented graphically.

The Observed Properties of Liquid Helium at the Saturated Vapor Pressure,   p.1217

Russell J. Donnelly and Carlo F. Barenghi

The equilibrium and transport properties of liquid 4He are deduced from experimental observations at the saturated vapor pressure. In each case, the bibliography lists all known measurements. Quantities reported here include density, thermal expansion coefficient, dielectric constant, superfluid and normal fluid densities, first, second, third, and fourth sound velocities, specific heat, enthalpy, entropy, surface tension, ion mobilities, mutual friction, viscosity and kinematic viscosity, dispersion curve, structure factor, thermal conductivity, latent heat, saturated vapor pressure, thermal diffusivity and Prandl number of helium I, and displacement length and vortex core parameter in helium II.

Isotopic Compositions of Elements 1997,   p.1275

K.J.R. Rosman and P.D.P. Taylor

The IUPAC Commission's Subcommittee for Isotopic Composition of the Elements has carried out its biennial review of isotopic compositions, as determined by mass spectrometry and other relevant methods. New guidelines have been used to arrive at the uncertainties on the isotopic abundances, and there are numerous changes to the table since it was last published in 1991. Atomic weights calculated from this table are consistent with Ar (E) values listed in the Table of Standard Atomic Weights.

IUPAC-NIST Solubility Data Series 66. Ammonium Phosphates,   p. 1289

Jitka Eysseltova and Thedford P. Dirkse

The solubility of ammonium phosphate is reviewed. Many ammonium phosphates can be described in terms of the ternary system: NH3–P2O5–H2O. However, this system differs from systems like the sulfates and halates in that it has a marked tendency to form condensed oligophosphate ions. The literature survey covers the period up to 1988.


Volume 27, No. 5, 1998

Simultaneous Assessment of the YBa2Cu3O6+z Thermodynamics Under the Linear Error Model, p. 855

E.B. Rudnyi, V.V. Kuzmenko, and G.F. Voronin

About 3000 experimental points obtained in 220 miscellaneous experiments published in 57 papers have been processed simultaneously in order to obtain the most reliable Gibbs energy of the YBa2Cu3O6+z solid solution in the temperature range from 250 K to 1300 K. The linear error model has been employed for the simultaneous assessment. The results obtained are compared with those of the conventional weighted least squares method, and the benefit of the new approach is discussed. New types of graphs that facilitate visualizing the quality of the fit are presented.

Electron Interactions with C3F8, p. 889

L.G. Christophorou and J.K. Olthoff

To aid the many and diverse applications for which perfluoropropane (C3F8) is suited, we critically evaluate and synthesize existing knowledge on electron scattering and electron energy-loss processes for the C3F8 molecule, and provide recommendations for the most reliable data. We also draw attention to electron-interaction data that are not presently available, but are needed for modeling the behavior of C3F8 in practical uses, especially plasma processing.

Thermodynamic Properties of Importance to Environmental Processes and Remediation. I. Previous Thermodynamic Property Values for Cadmium and Some of Its Compounds, p. 915

Donald G. Archer

The sources of previous thermodynamic property values are detailed for cadmium and some compounds of cadmium. Included are descriptions of the sources of information and methodology used to obtain the values for these compounds reported in the NBS series of publications, loosely and collectively referred to as the NBS Thermodynamics Tables.

Reference Correlation of the Viscosity of Propane, p. 947

E. Vogel, C. Kuchenmeister, E. Bich, and A. Laesecke

A new representation of the viscosity of propane includes a zero-density correlation and an initial-density dependence correlation based on the kinetic theory of dilute gases and on the Rainwater-Friend theory. The higher density contributions of the residual viscosity in the representation are formed by a combination of double polynomials in density and recipocal temperature, and a free-volume term with a temperature-dependent close-packed density. The full surface correlation is based on experimental data selected from a critical assessment of information from 37 original viscosity studies; the review contains 96 citations.

Thermodynamic Properties of Aqueous Magnesium Chloride Solutions from 250 to 600 K and to 100 MPa, p. 971

Peiming Wang, Kenneth S. Pitzer, and John M. Simonson

A new general model that describes the thermodynamic properties of MgCl2(aq) has been developed from a global fit to experimental results, including isopiestic molalities, vapor pressure measurements, freezing-point depressions, enthalpies of dilution, heat capacities, and densities. The model is based on a recent ion-interaction treatment with extended higher-order virial terms, and on experimental results from 240 to 627 K at pressures to 100 MPa and molalities to 25 mol kg-1.


Volume 27, No. 4, 1998

An International Standard Equation of State for the Thermodynamic Properties of HFC-125 (Pentafluoroethane), p761

Chun-cheng Piao and Masahiro Noguchi

An 18-coefficient modified Benedict-Webb-Rubin equation of state for HFC-125 (pentafluoroethane) has been developed. The equation of state is valid in the superheated gaseous phase and the compressed liquid phase at pressures up to 68 MPa, densities to 1700 kg•m-3, and temperatures from the triple point (172.52 K) to 475 K. This equation of state has been selected as an international standard formulation for HFC-125 based on an evaluation of the available equations of state by Annex 18 of the International Energy Agency.

Thermochemistry of the Boranes, p775

C.-L. Yu and S. H. Bauer

A compilation is presented of published experimental and computational reports (191 references) on the structures, vibrational frequencies, molar enthalpies of formation, and standard entropies for 26 gas phase boranes for the temperature range 0 K to 1500 K. Levels of uncertainties in the thermodynamic functions have not been assessed because of the limited experimental and theoretical data. The equilibrium compositions of the gas phase were calculated at constant temperature and volume for several B/H ratios at various temperatures and pressures.

Revised Formulation for the Refractive Index of Water and Steam as a Function of Wavelength, Temperature and Density, p807

Allan H. Harvey, John S. Gallagher, and J.M.H. Levelt Sengers

Schiebener et al. published a formulation for the refractive index of water and steam in 1990 [J. Phys. Chem. Ref. Data 19, 677 (1990)]. It covered the ranges 0.2µm to 2.5µm in wavelength, -12 °C to 500 °C in temperature, and 0 kg m-3 to 1045 kg m-3 in density. In the present paper, the data, after conversion to ITS-90, have been refitted to the same functional form, but based on an improved equation of state for water adopted by IAPWS in 1995. A substantial improvement has been obtained in supercooled water at ambient pressure, where the previous formulation was defective. Special attention has been paid to the behavior of the refractive index in the near infrared where strongly oscillating data were reported after the correlation of Schiebener et al. had appeared, leading to subsequent curtailing of the range of validity of the formulation. Newer results do not show these oscillations.


Volume 27, No. 3, 1998

Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, p413

Edward P.L. Hunter and Sharon G. Lias

The available data on gas phase basicities and proton affinities of approximately 1700 molecular, radical, and atomic neutral species are evaluated and compiled. Tables of the data are sorted (1) according to empirical formula and (2) according to evaluated gas basicity. This publication constitutes an update of a similar evaluation published in 1984.

Data on Internal Rarefied Gas Flows, p657

Felix Sharipov and Vladimir Seleznev

The present review is dedicated to one of the largest and a very important branch of the rarefied gas dynamics; namely, to the internal flows. A critical analysis of the corresponding numerical data and analytical results available in the literature was made. The most reliable data were selected and tabulated. The complete ranges of the primary parameters, determining the rarefied gas flows through a capillary, are covered. The capillary length varies from zero, when the capillary degenerates into a thin orifice, to infinity, when the end effects can be neglected.

Energetics of the O-H Bond in Phenol and Substituted Phenols: A Critical Evaluation of Literature Data, p707

Rui M. Borges dos Santos and Jose A. Martinho Simoes

This review presents a critical assessment of the available experimental information (contained in ~90 literature references) on the thermochemistry of the O-H bond in phenol and substituted phenols. The analysis led to a set of recommended values for O-H bond dissociation enthalpies, which in turn allowed us to discuss several empirical and theoretical methodologies used to estimate these data.


Volume 27, No. 2, 1998

Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules. Supplement A, p115

Marilyn E. Jacox

A summary is provided of recently published, critically evaluated experimental vibrational and electronic energy level data for neutral and ionic transient molecules and high temperature species possessing from three to sixteen atoms. Observations in the gas phase, in molecular beams, and in rare-gas and diatomic molecule matrices are evaluated. Radiative lifetimes and the principal rotational constants are included.


Volume 27, No. 1, 1998

Electron Interactions with C2F6, p.1

L. G. Christophorou and J. K. Olthoff

Perfluoroethane (C2F6, hexafluoroethane) is a man-made gas. Knowledge of its interactions with slow electrons (kinetic energies less than about 100 eV) is fundamental in optimizing performance parameters involved in the particular application. We have critically evaluated and synthesized existing knowledge on electron interactions with C2F6. Numerous cross sections and their intercomparison are presented and discussed.

The Viscosity of Carbon Dioxide, p.31

A. Fenghour, W. A. Wakeham, and V. Vesovic

When representative equations for the viscosity of carbon dioxide were published in 1990, it was recognized that, owing to inconsistencies among the available experimental liquid viscosity data which could not be resolved, new measurements were necessary. Since then, two new sets of experimental measurements have been performed. The previously published equations have been revised to improve their performance in the liquid region. In this work, the excess viscosity for the whole thermodynamic surface is represented by one equation. The resulting viscosity representation for carbon dioxide covers the temperature range 200 K less than or equal sign T less than or equal sign 1500 K and densities up to 1400 kg·m–3.

Survey and Assessment of Available Measurements on Thermodynamic Properties of the Mixture {Water + Ammonia}, p.45

Reiner Tillner-Roth and Daniel G. Friend

Measurements of available thermodynamic data for mixtures of water and ammonia are compiled and summarized. The data sets are compared, using a Helmholtz free energy formulation. Recommendations are given for which data sets are suited to serve as a basis for an equation of state formulation of the thermodynamic properties of {water + ammonia}. Gaps in the database are shown to give experimenters orientation for future research.

A Helmholtz Free Energy Formulation of the Thermodynamic Properties of the Mixture {Water + Ammonia}, p.63

Reiner Tillner-Roth and Daniel G. Friend

A thermodynamic model incorporating a fundamental equation of state for the Helmholtz free energy of the mixture {water + ammonia} is presented which covers the thermodynamic space between the solid-liquid-vapor boundary and the critical locus. It is valid in the vapor and liquid phases for pressures up to 40 MPa. It represents VLE properties with an uncertainty of ±0.01 in liquid and vapor compositions. Typical uncertainties in the single-phase regions are ±0.3% for the density and ±200 J·mol–1 for enthalpies.

JPCRD Supplement & Monographs

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