The
following articles are published in Volume 26 of the JPCRD. Links to Volumes
25 and 27 are also included in the table of contents. The latest volume
includes 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
26, No. 6, 1997
Volume 26, No. 5, 1997
Volume 26, No. 4, 1997
Volume 26, No. 3, 1997
Volume 26, No. 2, 1997
Volume 26, No. 1, 1997
NIST-JANAF
Thermochemical Tables, Fourth edition
Volume
29, 2000
Volume 28, 1999
Volume 27, 1998
Volume 25, 1996
Articles Published
JPCRD - Vol.
26, No. 6, 1997
An International
Standard Equation of State for Difluoromethane (R-32) for Temperatures
from the Triple Point at 136.34 K to 435 K and Pressures up to 70 MPa,
p.1273
Reiner Tillner-Roth
and Akimichi Yokozeki
A fundamental
equation of state for the Helmholtz free energy of R-32 (difluoromethane)
is presented which is valid from the triple point at 136.34 K to 435
K and pressures up to 70 MPa. It is based on accurate measurements of
pressure-density-temperature (P, 
,T),
speed of sound, heat capacity, and vapor pressure currently available.
New values for the isobaric heat capacity cp°
of the ideal gas, calculated from spectroscopic data taking into account
also first order anharmonicity corrections, are presented. This equation
of state has been compared to equations developed by other research
groups by ANNEX 18 of the International Energy Agency and has been selected
as an international standard formulation for the thermodynamic properties
of R-32 by this group.
Evaluated Kinetic
and Photochemical Data for Atmospheric Chemistry: Supplement VI. IUPAC
Subcommittee on Gas Kinetic Data Evaluation for Atmospheric Chemistry,
p.1329
R. Atkinson,
D. L. Baulch, R. A. Cox, R. F. Hampson, Jr., J. A. Kerr, M. J. Rossi,
and J. Troe
This paper updates
and extends part of a previous database of critical evaluations of the
kinetics and photochemistry of gas phase chemical reactions of neutral
species involved in atmospheric chemistry. The present evaluation is
limited to the following families of atmospherically important reactions:
Ox, HOx, NOx, and SOx. The
work has been carried out by the authors under the auspices of the IUPAC
Subcommittee on Gas Phase Kinetic Data Evaluation for Atmospheric Chemistry.
Erratum: Heat
Capacities and Entropies of Organic Compounds in the Condensed Form.
Volume III, p.1501
Eugene S. Domalski
and Elizabeth D. Hearing
Home
A Compilation of
Energy Levels and Wavelengths for the Spectrum of Neutral Beryllium (Be
I), p.1185
A. Kramida
and W. C. Martin
The new compilation
includes significant revisions, extensions, and improvements of the
earlier data for configurations of the types 1s22snl and
1s22pnl and also extends the energy range to higher configurations,
including those involving 1s-electron excitation. The observed
wavelengths for some 200 lines are given with their energy-level classifications.
The wavelength measurements extend from 89 to 31780 . We have obtained
values for a number of levels by using series formulas and/or theoretical
results; these levels are more accurate than values derived from available
wavelength measurements.
Material Properties
of a Sintered a-SiC, p.1195
R. G. Munro
A self-consistent,
single-valued representation of the major physical, mechanical, and
thermal properties of a sintered a-SiC is presented. This comprehensive
set of properties is achieved by focusing on a narrowly defined material
specification in which boron and carbon are used as sintering aids to
produce a dense ceramic ( 98% of the theoretical maximum density) with
a grain size of (6±2) µm.
Electron Interactions
with CCl2F2, p.1205
L. G. Christophorou,
J. K. Olthoff, and Yicheng Wang
We critically
evaluate and synthesize the available information on the cross sections
and rate coefficients for collisional interactions of dichloro-difluoromethane
(CCl2F2) with electrons. The Cl2F2
molecule fragments rather extensively under electron impact, principally
via dissociative ionization and dissociative attachment; the latter
process is temperature dependent. Based upon the assessment of published
experimental data, recommended values of various cross sections and
rate coefficients are generated in graphical and tabular form. Areas
where additional data are needed are identified, such as the measurement
of the cross sections for momentum transfer and electron impact dissociation
of CCl2F2 into neutral species.
Atomic Weights
of the Elements 1995, p.1239
T. B. Coplen
The biennial review
of atomic weight, Ar(E), determinations and other cognate data
has resulted in changes for the standard atomic weight of 21 elements.
An annotation of potassium has been changed in the Table of Standard
Atomic Weights. The Commission recommends that such data be expressed
using 7Li/ 6Li ratios and that reporting
using 6Li/7Li rations be discontinued. Because
relative isotope- ratio data for sulfur are commonly being expressed
on non- corresponding scales, the Commission recommends that such isotopic
data be expressed relative to VCDT (Vienna Canon Diablo Troilite) on
a scale such that 34S/32S of IAEA-S-1 silver sulfide
is 0.9997 times that of VCDT. Many elements have a different isotopic
composition in some nonterrestrial materials. Some recent data on oxygen
are included in this article for the information of the interested scientific
community.
Home
Thermodynamic
Properties of Alkali Metal Hydroxides. Part II. Potassium, Rubidium,
and Cesium Hydroxides, p.1031
L. V. Gurvich,
G. A. Bergman, L. N. Gorokov, V. S. Iorish, V. Ya. Leonidov, and V.
S. Yungman
The data on thermodynamic
and molecular properties of the potassium, rubidium, and cesium hydroxides
have been collected, critically reviewed, analyzed, and evaluated. Tables
of thermal functions of these hydroxides in the condensed and gasious
states have been calculated using the results of the analysis and some
estimated values. The recommendations are compared with earlier evaluations.
Interpolation
Correlations for Fluid Properties of Humid Air in the Temperature Range
100 °C to 200 °C, p.1111
A. Melling,
S. Noppenberger, M. Still, and H. Venzke
This paper provides
simple analytical corrections for selected thermodynamic and fluid transport
properties for the mixture dry air and water vapor. These correlations
are derived from theory as well as from numerical fit procedures and
give expressions for density, viscosity, thermal conductivity, specific
heat, and Prandtl number at a working pressure of
=1 bar and for a temperature range from 100 °C and 200 °C.
Since experimental data are scarce for the properties under investigation,
it was necessary to extrapolate the available correlations to temperatures
or water vapor contents where no experimental data could be found. The
derived equations are compared with the pure component values for dry
air and water vapor and, as far as possible, also for air-water vapor
mixtures.
Evaluated Kinetic,
Photochemical and Heterogeneous Data for Atmospheric chemistry: Supplement
V, IUPAC Subcommittee on Gas Kinetic Data Evaluation for Atmospheric
Chemistry, p. 521
R. Atkinson,
D. L. Baulch, R. A. Cox, R. F. Hampson, Jr., J. A. Kerr, M. J. Rossi,
and J. Troe
This paper updates
and extends previous critical evaluations of the kinetics and photochemistry
of gas-phase chemical reactions of neutral species involved in atmospheric
chemistry [J. Phys. Chem. Ref. Data 9, 295 (1980); 11,
327 (1982); 13, 1259 (1984); 18, 881 (1989); 21,
1125 (1992)]. The work has been carried out by the authors under the
auspices of the IUPAC Subcommittee on Gas Phase Kinetic Data Evaluation
for 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. Also
included for the first time in this series of evaluations is a section
on heterogeneous reactions of importance in atmospheric chemistry.
Home
Gas-Phase Tropospheric
Chemistry of Volatile Organic Compounds: 1. Alkanes and Alkenes,
p. 215
Roger Atkinson
Literature data
(through mid-1996) concerning the gas-phase reactions of alkanes and
alkenes (including isoprene and monoterpenes) leading to their first-generation
products are reviewed and evaluated for tropospheric conditions. The
recommendations of the most recent IUPAC evaluation are used for the
C3 organic compounds unless more recent data necessitate
reevaluation. The most recent review and evaluation of Atkinson [J.
Phys. Chem. Ref. Data, Monograph 2 (1994)] concerning the kinetics
of he reactions of OH radicals, NO3 radicals, and O3
is also updated for these two classes of volatile organic compounds.
Homolgous Series
of Liquid Crystalline Steroidal Lipids, p. 291
Thies Thiemann
and Volkmar Vill
Steroids are an
important source of chiral mesophases. The melting behavior and mesomorphic
properties of homologous series of steroidal derivatives have been extracted
from the literature, tabulated, and discussed. The tables provide the
reader with an evaluated compilation of the type of mesophases found
for the individual compounds including their transition temperatures.
The data can be used for statistical analysis to show the specific role
of substructures within the steroidal framework.
New Survey
of Electron Impact Cross Sections for Photoelectron and Auroral Electron
Energy Loss Calculations, p. 335
Tariq Majeed
and Douglas J. Strickland
Newly surveyed
sets of energy loss cross sections are presented for N2,
O2, and O. Each set includes a total ionization cross section
and excitation cross sections that correspond to all important nonionizing
energy loss channels for that species. A loss function is also constructed
for each species and compared with the Bethe formula above 100 eV. Fluxes
of photoelectrons and auroral electrons have been calculated for the
new sets of energy loss cross sections as well as our previous sets.
No substantial differences occur using the new description of energy
loss.
Phase Diagrams
and Thermodynamic Properties of Binary and Ternary Systems Based on
Nitroaromatic Compounds, p.351
James Sangster
The phase diagram
data on 226 binary organic systems based on nitroaromatic compounds
were critically evaluated with the aid of a computer-coupled thermodynamic/phase
diagram analysis. The phase diagrams of seven ternary systems were calculated
from the evaluated thermodynamic data of the binary subsystems with
the use of the Kohler interpolative model and compared with the exprimental
diagrams.
Home
Electron
Interactions with CHF3, p. 1
L. G. Christophorou,
J.K. Olthoff, and M.V.V.S. Rao
The available
information on the cross sections and/or the rate coefficients for collisional
interactions of CHF3 with electrons is assessed and synthesized.
The limited data on the total and partial electron impact ionization
and dissociation cross sections, total and partial cross sections for
electron impact dissociation of CHF3 into neutral species,
electron-impact induced line and continuous light emission from CHF3,
negative ion states of CHF3, and the energetics of ionization,
dissociation, and attachment are summarized and discussed.
Microwave
Spectra of Molecules of Astrophysical Interest XXIV. Methanol (CH3OH
and 13CH3OH), p. 17
L. - H. Xu
and F.J. Lovas
The available
microwave and millimeter-wave spectra of methanol, CH3OH,
and its most abundant isotopomer, ¹³CH3OH), are
critically reviewed and supplemented with spectral frequency calculations
derived from rotation-internal rotation analyses. For both species,
global analyses of the torsional ground state, v¹=1, and the first
excited torsional state, v1=1, have been carried out in which
all observed spectral lines are reproduced to within their measurement
uncertainties. References are given for all data included.
The Vapor
Pressure of Environmentally Significant Organic Chemicals: A Review
of Methods and Data at Ambient Temperatures, p. 157
Alessandro
Delle Site
The experimental
techniques and the prediction procedures for the determination or evaluation
of the vapor pressure of environmentally relevant organic compounds
are described; with 259 references examined. The vapor pressures at
ambient temperature for several polycyclic aromatic hydrocarbons (PAHs),
polychlorinated biphenyls (PCBs), polychlorinated dibenzo-p-dioxins
(PCDDs) and furans (PCDFs), selected pesticides, and some reference
compounds are tabulated together with the vapor pressure equations and
the enthalpy values in the temperature range of measurement. A critical
comparison, based on a statistical analysis of the data obtained with
different methods and derived from 152 references, is also carried out.
JPCRD
- Vol. 25, 1996
JPCRD - Vol. 27, 1998
Data
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