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The following is a listing
of articles and abbreviated abstracts published from Volume 25-1 through
Volume 29-6 of the JPCRD and the announcement of the Fourth Edition
of the JANAF Thermochemical Tables published as a monograph. 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 29,
No. 1, 2000
Volume 29, No. 2, 2000
Volume 29, No. 3, 2000
Volume 29, No. 4, 2000
Volume 29, No. 5, 2000
Volume 29, No. 6, 2000
NIST-JANAF
Thermochemical Tables, Fourth edition
JPCRD
- Vol. 28, 1999
JPCRD - Vol. 27, 1998
JPCRD - Vol. 26, 1997
JPCRD - Vol. 25, 1996
Articles Published in Volume 29
Volume
29, No.6, 2000
A
Reference Equation of State for the Thermodynamic Properties of Nitrogen
for Temperatures from 63.151 to 1000 K and Pressures to 2200 Mpa
Roland
Span, Eric W Lemmon, Richard T Jacobsen, Wolfgang Wagner, and Akimichi
Yokozeki
A
new formulation for the thermodynamic properties of nitrogen has been
developed. Many new data sets have become available, including high
accuracy data from single and dual-sinker apparatuses which improve
the accuracy of the representation of the pρTsurface of
gaseous, liquid, and supercritical nitrogen, including the saturation
states. New measurements of the speed of sound from spherical resonators
yield accurate information on caloric properties in gaseous and supercritical
nitrogen. Isochoric heat capacity and enthalpy data have also been published.
Sophisticated procedures for the optimization of the mathematical structure
of equations of state and special functional forms for an improved representation
of data in the critical region were used. Constraints regarding the
structure of the equation ensure reasonable results up to extreme conditions
of temperature and pressure. For calibration applications, the new reference
equation is supplemented by a simple but also accurate formulation,
valid only for supercritical nitrogen between 250 and 350 K at pressures
up to 30 MPa. The uncertainty in density of the new reference equation
of state ranges from 0.02% at pressures less than 30 MPa up to 0.6%
at very high pressures, except in the range from 270 to 350 K at pressures
less than 12 MPa where the uncertainty in density is 0.01%. The equation
is valid from the triple point temperature to temperatures of 1000 K
and up to pressures of 2200 MPa. From 1000 to 1800 K, the equation was
validated with data of limited accuracy. The extrapolation behavior
beyond 1800 K is reasonable up to the limits of chemical stability of
nitrogen, as indicated by comparison to experimental shock tube data.
Physicochemical
Properties of Higher Nonaromatic Hydrocarbons: A Literature Study
Eric
M. J Verbruggen, Joop L. M. Hermens, and Johannes Tolls
Few
data are available on the behavior of higher aliphatic hydrocarbons
in the environment and especially in relation to hydrophobicity. Sorption
to soil and bioconcentration by aquatic organism are examples of processes
that can be estimated from hydrophobicity parameters, such as aqueous
solubility and octanol-water partition coefficients. A literature study
was conducted on these physicochemical properties of aliphatic hydrocarbons.
Recommended values are tabulated for aliphatic hydrocarbons containing
ten or more carbon atoms.
IUPAC-NIST
Solubility Data Series. 72. Nitromethane with Water or Organic Solvents:
Ternary and Quaternary Systems
Valerll
F. Sazonov, Kennefh N. Marsh, David G. Shaw, Mariya F Chernysheva, Nikolai
V Sazonov, and Hideo Akaiwa
The
mutual solubilities and liquid-liquid equilibria of nitromethane ternary
and quaternary systems with liquid solvents are reviewed. The solvents
include water, inorganic compounds, and a variety of organic compounds
such as hydrocarbons, halogenated hydrocarbons, alcohols, acids, esters,
and nitrogen compounds. A total of 107 ternary and eight quaternary
systems whose properties were described in the chemical literature through
1998 are compiled. For 22 systems, sufficient data were available to
allow critical evaluation. All data are expressed as mass and mole fractions
as well as the originally reported units. Similar reviews of gas, liquid,
and solid solubilities for other systems have been published in the
frame of Solubility Data Series. This is the 72 volume of this series.
Erratum: "IUPAC-NIST
Solubility Data Series 66. Ammonium Phosphates" [J. Phys. Chem.
Ref. Data 27,1289 (1998)]
Jitka
Eysselfova
Volume
29, No.5, 2000
A
New Equation of State for Ethylene Covering the Fluid Region for Temperatures
From
the Melting Line to 450 K at Pressures up to 300 MPa
J.
Smukula, R. Span, and W. Wagner
This
work reviews the available data on thermodynamic properties of ethylene
and presents a new equation of state in the form of a fundamental equation
explicit in the Helmholtz energy. The functional form of the residual
part of the Helmholtz energy was developed by using state-of-the-art
optimization strategies. Independent equations for the vapor pressure,
for the pressure on the sublimation and melting curve and for the saturated
liquid and saturated vapor densities are also included.
Volumetric
Ion Interaction Parameters for Single-Solute Aqueous Electrolyte Solutions
at Various Temperatures
Boris
S. Krumgalz, Rita Pogorelskii, Alex Sokolov, and Kenneth S. Pitzer
The
ion interaction approach developed by Pitzer allows the prediction of
thermodynamic characteristics of mixed electrolyte solutions at various
temperatures, if the respective parameters for each type of single electrolyte
solutions are known. Among such thermodynamic characteristics are the
volumetric ones (density and apparent molal volumes). A database for
the densities and the apparent molar volumes versus concentrations
was developed at a temperature interval of 298.15 to 368.15 K for those
ions important in industrial solutions, as well as natural waters.
Thermodynamic
Properties of the NaNO3+H20 System
Donald
G. Archer
New
equations that describe the thermodynamic properties of the NaNO3+H20
system were obtained from previously published measurements for this
system. The measured values included in the fitted equations spanned
the range of temperatures of approximately 236-425 K for NaNO3(aq)
and 16-548 K for NaNO8(cr). New equations and/or values for
the following properties are given in the present work: (1) thermal
properties of NaNO3(cr) from 0 K to near the lambda transition,
548.6 K, (2) the change in chemical potential for both NaNO3 and
H20 in NaNO3(aq) as a function of temperature,
and molality, valid from 236 to 425 K, and the molality range of 0 mol~kg~1
to the lesser of the saturation molality or 25 mol.kg~1,
and (3) standard-state properties for the aqueous solution process.
Formulas
for Cross Sections and Rate Coefficients for Partial Electron Impact
Ionization
ot CH4 and H2
V.
Dose, P. Pecher, and R. Preuss
Robust,
accurate, and asymptotically exact cross section formulas for all direct
and dissociative electron impact ionization channels of methane and
hydrogen are presented. The parameter estimation employs Bayesian inference
and allows for a consistent use of data from different experiments with
possibly discordant calibrations. An efficient method for the calculation
of rate coefficients and their temperature derivatives is outlined.
IUPAC-NIST
Solubility Data Series 71. Nitromethane with Water or Organic Solvents:
Binary Systems
Valeni
P. Sazonov, Kenneth N. Marsh, and Glenn T. Hefter
The
mutual solubilities and liquid-liquid equilibrium of nitromethane binary
systems with liquid solvents are reviewed. The solvents include water,
inorganic compounds, and a variety of organic compounds such as hydrocarbons,
halogenated hydrocarbons, alcohols, acids, esters, and nitrogen compounds.
A total of 474 systems published through 1993 are compiled. For 39 systems
sufficient data were available to allow critical evaluation. All data
are expressed as mass and mole fractions as well as the originally reported
units. Similar reviews of gas, liquid, and solid solubilities for other
systems were published in the frame of Solubility Data Series.
Volume
29, No.4, 2000
An
International Formulation for the Thermodynamic Properties of 1,1,1
-Trifluoroethane (HFC-143a) for Temperatures From 161 to 450
K and Pressures to 50 Mpa
Eric
W. Lemmon and Richard T. Jacobsen
A
new formulation is presented for the thermodynamic properties of refrigerant
1 43a (1,1,1 -trifluoroethane, CH3-CF3) based
upon available experimental data. The formulation can be used for the
calculation of density, heat capacity, speed of sound, energy, and saturation
properties using an equation of state explicit in Helmholtz energy.
Comparisons to available experimental data establish the accuracy of
calculated properties using this equation of state. This equation of
state has been accepted as an international standard formulation for
the properties of R-143a by the International Energy Agency-Annex 18.
Electron
Interactions With CF3I
L.G.
Christophorou and J K. Olthoft
Low-energy
electron collision data for the plasma processing gas CF3I
are sparse. Limited cross section data are available only for total
and differential elastic electron scattering, electron-impact ionization,
and electron attachment processes. These data are synthesized, assessed,
and discussed in this paper. There is a need for further scrutiny of
these data and for measurements of the cross sections of the other main
electron-collision processes. There is a need also for measurement of
the electron transport, ionization, and attachment coefficients of
this molecule.
Electrostatic
Parameters of Ionic Crystals
M.
M. Mestechkin
More
than 200 Madelung constants (MCs), site potentials, and electric field
gradient components for ionic crystals of different nature calculated
by means of the modified Madelung-Born method are presented. The same
technique has helped in finding superposition rules interconnecting
different classic crystals, which are useful for checking the accuracy
of calculated MCs, the local site potentials, and electric field gradient
tensors.
Detailed
Tabulation of Atomic Form Factors, Photoelectric Absorption and Scattering
Cross Section, and Mass Attenuation Coefficients in the Vicinity
of Absorption Edges in
the Soft x-Ray (z=30-36, z=60-89, E=0.1 keV-10 keV), Addressing
Convergence
Issues of Earlier Work
C.
T. Chantler
Reliable
knowledge of the complex x-ray form factor and the photoelectric attenuation
coefficient is required for crystallography, medical diagnosis, radiation
safety, and XAFS studies. Discrepancies between the currently used
theoretical approaches of 200% exist for numerous elements from 1 keV
to 3 keV x-ray energies. The key discrepancies are due to the smoothing
of edge structure, the use of nonrelativistic wave functions, and the
lack of appropriate convergence of wave functions. This paper addresses
these key discrepancies and derives new theoretical results of substantially
higher accuracy in near-edge soft x-ray regions. The high-energy limitations
of the current approach are also illustrated
Electron Interactions
With SF6
L. G. Christophorou
and J .K. 0thoff
The
state of knowledge on electron-interaction cross sections and electron
swarm parameters in SF6 is comprehensively reviewed and critically
assessed. Complementary information on the electronic and molecular structure
of the SF6 molecule and on electron detachment and ion transport
in parent SF6 gas is provided that allows a better understanding
of the nature of the cross sections and swarm parameters.
Thermodynamic
Properties of Air and Mixtures of Nitrogen, Argon, and Oxygen from 60
to 2000 K at Pressures to 2000 MPa
Eric W. Lemmon,
Richard T. Jacobsen, Steven G. Penoncello, and Daniel G. Friend
A thermodynamic property
formulation for standard dry air based upon available experimental p-p-T,
heat capacity, speed of sound, and vapor-liquid equilibrium data is presented.
The available measurements of thermodynamic properties of air are summarized
and analyzed. Separate ancillary equations for the calculation of dew
and bubble-point pressures and densities of air are presented. In addition
to the equation of state for standard air, a mixture model explicit in
Helmholz energy has been developed which is capable of calculating the
thermodynamic properties of mixtures containing nitrogen, argon, and oxygen.
Temperature Dependence
of Physical-Chemical Properties of Selected Chemicals of Environmental
Interest. II. Chlorobenzenes, Polychlorinated Biphenyls, Polychlorinated
Dibenzo-p-dioxins and Dibenzofurans
Wan-Ying Shiu
and Kuo-Ching Ma
Data for the physical-chemical
properties of chlorinated benzenes, biphenyls, dibenzo-p-dioxins, and
dibenzofurans are compiled and reviewed. Recommended values at 25 °C and
equations for estimating these properties (vapor pressure, aqueous solubility,
and Henry's Law constant) over the temperature range of 5 °C to 50 °C
are provided.
The Ideal Gas
Thermodynamics of Diesel Fuel Ingredients. I. Naphthalene Derivatives
and Their Radicals
Henry Curran,
Christine Wu, Nick Marinov, W. J Pitz, and Charles K. Westbrook, and Alexander
Burcat
The molecular fundamentals
of twenty-one naphthalene derivatives were investigated, calculated and
evaluated, and their ideal gas thermodynamic properties were calculated.
Ten of these species are stable molecules and eleven are radicals.
Reference Data
for the Thermal Conductivity of Saturated Liquid Toluene Over a Wide Range
of Temperature
Maria L.V. Ramires,
Carlos A. Nieto de Castro, Richard A. Perkins, Yuchi Nagasaka, Akira Nagashima,
Marc J. Assael, and William a. Wakeham
The accuracy of experimental
thermal conductivity data is a function of the operating conditions of
the instrument. Reference data are required over a wide range of conditions
to verify the claimed uncertainties of absolute instruments and to calibrate
relative instruments, since either type may be used to measure the thermal
conductivity of fluids. Recently, accurate experimental data for the thermal
conductivity of liquid toluene near the saturation line have been obtained
which allow the upper temperature limit of the previous reference-data
correlation to be extended from 360 K to 553 K. Uncertainties due to the
contribution of thermal radiation and the purity of the samples are discussed.
The quality of the data is such that new improved recommendations and
recommended values can be proposed with uncertainties at 95% confidence
to 1% for 189<T<440 K, 1.5% for 440<T<480 K,
and 2% for 480<T<553 K, near the saturation line.
Experimental Data
for the Viscosity and Thermal Conductivity of Water and Steam
M.J. Assael, E.
Bekou, D. Giakoumakis, D.G. Friend, M.A. Killeen, J. Millat, and A Nagashima
As part of a joint
project between the International Association for the Properties of Water
and Steam and the Subcommittee on Transport Properties of the International
Union of Pure and Applied Chemistry Commission I.2 on Thermodynamics,
all available and reliable experimental data on the viscosity and thermal
conductivity of ordinary water and steam have been collected and converted
to the current temperature scale (ITS-90) and a common set of units. The
total data collection contains 4090 points for viscosity in the range
of temperatures from 238 K to 1346 K with pressures to 346 MPa and 5107
points for thermal conductivity in the range of temperatures from 256
K to 1191 K with pressures to 785 MPa. This study has identified new data
which were not available for the previous reviews of the transport properties
of water, has identified regions in which the current standard transport
property formulations can now be improved, and is intended to facilitate
the development of new, more accurate international formulations for the
viscosity and thermal conductivity of water and steam.
Evaluated Kinetic
and Photochemical Data for Atmospheric Chemistry: Supplement VIII, Halogen
Species. IUPAC Subcommittee on Gas Kinetic Data Evaluation for Atmospheric
Chemistry
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 the 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 inorganic halogen family of atmospherically important reactions.
Data sheets have been prepared for 102 thermal and photochemical reactions,
containing summaries of the available experimental data with notes giving
details of the experimental procedures.
Volume 29, No.
1, 2000
Critical Properties
and Vapor Pressure Equation for Alkanes CnH2n+2:
Normal Alkanes with n 36
and Isomers for n=4 Through n=9 - p.1
W. Lemmon and
A. R. H. Goodwin
A correlation for
estimating the vapor pressure of normal alkanes from methane through n-hexatriacontane
and isomers of butane to nonane is reported. This work extends the correlation
for normal alkanes (CnH2n+2), with
n20,
reported by Ambrose, to both normal alkanes with n36
and their isomers with n9.
This vapor pressure equation was based on the Wagner equation and is similar
to that used by Ambrose. Literature vapor pressure measurements have been
reviewed.
Temperature Dependence
of Physical-Chemical Properties of Selected Chemicals of Environmental
Interest. I. Mononuclear and Polynuclear Aromatic Hydrocarbons - p.41
Wan-Ying Shiu
and Kuo-Ching Ma
Physical-chemical
property data, which control air-water partitioning--namely vapor pressure,
aqueous solubility, and Henry's law constant--over the environmentally
relevant temperature range of 5 °C to 50 °C, are compiled and reviewed
for the mononuclear aromatic and polynuclear aromatic hydrocarbons. Corresponding
enthalpies of phase transition are also reported. As a result of critical
review, selected values are given at 25 °C, and where possible equations
expressing the temperature dependence are given.Twenty-one aromatic hydrocarbons
are studied, with approximately 300 references.
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