The following
articles are published from Volume 25-1 through Volume 25-6 of the JPCRD
plus a new monograph. The abstracts for articles published in Volumes
26 and 27 also are available online. The links for Volumes 26 and 27
are in the table of contents below. Articles are listed in the latest
volume 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
25, No. 6, 1996
Volume 25, No. 5, 1996
Volume 25, No. 4, 1996
Volume 25, No. 3, 1996
Volume 25, No. 2, 1996
Volume 25, No. 1, 1996
NIST-JANAF
Thermochemical Tables, Fourth edition
JPCRD
- Vol. 29, 2000
JPCRD - Vol. 28, 1999
JPCRD - Vol. 27, 1998
JPCRD - Vol. 26, 1997
Articles
Published
JPCRD - Vol.
25, No. 6 1996
Revised
Group Additivity Values for Enthalpies of Formation (at 298 K) of Carbon-Hydrogen
and Carbon-Hydrogen-Oxygen Compounds, p. 1411
N. Cohen
A program has
been undertaken for the evaluation and revision of Group Additivity
Values (GAVs) necessary for predicting, by emans of Benson's Group Additivity
Method, thermochemical properties of organic molecules. This review
reports on the portion of that program dealing with GAVs for enthalpies
of formation at 298.15 K (hereinafter abbreviated as 298 K ) for carbon-hydrogen
and carbon-hydrogen-oxygen compounds. A complete database of experimental
data for gas, liquid, and crystal solid) phase enthalpies of formation
is presented.
Extended
Additivity Model of Parameter log(L16), p.1483
Pavel Havelec
and Jiri G. K. Sevcik
An additivity
model of the apolar solute-solvent parameter log(L16) was
verified using sets of 939 nonaromatic and 1075 aromatic compounds.
Unbiased distributions of errors and of the contribution significance
level were statistically tested. An analysis of the CH2 group
contribution in 34 homologous series indicates that the differences
among the homologous series are statistically insignificant and related
to interactional contributions rather than to the nature of the CHs
group.
Standard
Thermodynamic Functions of some Isolated Ions at 100-1000 K,
p. 1495
A. Loewenschuss
and Y. Marcus
The standard thermodynamic
functions at 100 to 1000 K of 24 polyatomic gaseous ions are reported,
based on structural and spectroscopic data from the literature. These
ions are: zirconyl, hydrotelluride, amide, selenocyanate, tellurocyanate,
orthoborate, metaphosphate, arsenite, orthosilicate, tetrachloropalladate(II),
tetrabromopalladate(II), tetrachloroplatinate(II), tetrabromoplatinate(II),
hexafluorophosphate, hexafluoroarsenate, hexafluoroanthimonate, hexabromoplatinate(IV),
tetracyanonickelate, tetracyanomercurate, octacyanomolybdenate(IV),
sulfamate, benzoate, guanidium, and glycine as cation, zwitterion, and
anion.
A New
Equation of State for carbon Dioxide covering the Fluid Region from
the Triple Point Temperature to 1100 K at Pressures up to 800 MPa,
p. 1509
R. Span and
W. Wagner
This work reviews
the available data on thermodynamic properties of carbon dioxide and
presents a new equation of state in the form of a fundamental equation
explicit in the Helmholtz free energy. By applying state-of-the-art
strategies for optimization of the mathematical form of the equation
and for the simultaneous nonlinear fit to the data of all these properties,
the resulting formulation is able to represent even the most accurate
data within their experimental uncertainty. Special interst has been
focused on the description of the critical region and the extrapolation
behavior of the formulation. Without a complex coupling to a scaled
equation of state, the new formulation yields a reasonable description
even of the caloric properties in the immediate vicinity of the critical
point. At least for the basic properties like pressure, fugacity, and
enthalpy, the question can be extrapolated up to the limits of the chemical
stability of carbon dioxide.
Home
Volume 25, No.
5, 1996
NIST-JANAF
Thermochemical Tables for the Iodine Oxides, p.1297.
Malcolm W.
Chase
The thermodynamic
and spectroscopic properties of the iodine oxide species have been reviewed.
Recommended NIST-JANAF Thermochemical Tables are given for six gaseous
iodine oxides; IO, OIO, IOO, IOI, IIO, and IO3. In contrast
to the chlorine and bromine oxides, the data are scarce and estimations
must be made. Annotated bibliographies (over 350 references) are provided
for all neutral iodine oxides which have been reported in the literature.
Electron
Interactions with CF4, p.1341
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 CF4 with electrons is assessed and synthesized.
Assessed information is presented on (1) cross sections for electron
scattering, electron impact ionization, electron impact dissociation,
and electron detachment; (2) coefficients for electron transport, electron
attachment, and electron impact ionization; and (3) cross section sets
derived from analyses of electron transport data.
Erratum:
Volumetric Properties of Single Aqueous Electrolytes from Zero to Saturation
Concentration at 298.15 K Represented by Pitzer's Ion-Interaction Equations,
p. 1389.
Home
Volume 25, No.
4 1996
NIST-JANAF Thermochemical
Tables for the Bromine Oxides, p. 1069
Malcolm W.
Chase
The thermodynamic
and spectroscopic properties of the bromine oxide species have been
reviewed. Recommended NIST-JANAF Thermochemical Tables are given for
six gaseous bromine oxides: BrO, OBrO, BrOO, BrOBr, BrBrO, and BrO3.
Annotated bibliographies (over 280 references) are provided for all
neutral bromine oxides which have been reported in the literature.
Microwave Spectra
of Molecules of Astrophysical Interest. XXIII. Acetaldehyde, p.
1113
I. Kleiner,
F. J. Lovas, and M. Godefroid
The microwave
spectrum of aetaldehyde is critically reviewed and supplemented with
spectral frequency calculations derived from the rotation - internal
rotation analysis. A simultaneous analysis of the torsional grount state,
vt=0, and first and second torsionally excited states, vt=1
and 2, was carried out.
Thermodynamic
Properties of Alkali Metal Hydroxides, Part I. Lithium and Sodium Hydroxides,
p 1211
L. V. Gurvich,
G. A. Bergman, L. N. Gorokhov, V. S. Iorish, V. Ya. Leionidov, and V.
S. Yungman
The data on the
thermodynamic and molecular properties of the lithium and sodium hydroxides
have been collected, critically reviewed, analyzed, and evaluated. Tables
of the thermal functions of these hydroxides in the condensed and gaseous
state have been calculated using the results of the analysis and some
estimated values. The recommendations are compared with earlier evaluations.
Erratum: Liquid-Liquid
Demixing from Solutions of Polystyrene. 1. A Review.
2. Improved Corelation with Solvent Properties, p. 1277
Attila Imre
and W. Alexander Van Hook
SRD
Home
Volume 25, No.
3 1996
Rate Constants
for Reactions of Aliphatic Carbon-Centered Radicals in Aqueous Solution,
p. 709
Pedatsur Neta,
Jan Grodkowski, and Alberta B. Ross
Absolute rate
constants for reactions of aliphatic carbon-centered radicals in aqueous
solution have been compiled and evaluated from the literature. The tables
include data for over 2500 reactions of 373 radicals from 740 literature
references.
Home
Volume 25, No.
2 1996
NIST-JANAF
Thermochemical Tables for the Oxygen Fluorides, p. 551
Malcolm W.
Chase
The thermodynamic
and spectroscopic properties of the Oxygen fluoride species have been
reviewed. Recommended thermochemical tables are given for five gaseous
oxygen fluorides: OF, OFO, FOO, FOF, and O2F2.
Annotated bibliographies (over 600 references) are provided for all
neutral oxygen fluorides which have been reported in the literature.
A Modified
Benedict-Webb-Rubin Equation of State for the Termodynamic Properties
of R152a (1, 1-difluoroethane), p.605
Stephanie L.
Outcalt and Mark O. McLinden
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. 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 Corelation
with Solvent Properties, p. 637
Low pressure liquid-liquid
demixing data for polystyrene dissolved in 76 different one-component
solvent systems are reviewed and correlated. A new relation is developed
which quantitatively correlates the area of solubility lying between
the UCS and LCS demixing curves in the (TcMw-1/2)
projection with solvent solubility parameters.
Volumetric
Properties of Single Aqueous Electrolytes from Zero to Saturation Concentration
at 298.15 °K Represented by Pitzer's Ion-Interaction Equations,
p. 663
Boris S. Krumgalz,
Rita Pogorelsky, and Kenneth S. Pitzer
The ion interaction
approach developed by Pitzer allows the prediction of various thermodynamic
characteristics of multiple-solute electrolyte solutions if the respective
parameters for each type of single-solute electrolyte solutions are
known. The present paper discusses the Pitzer Approach to the calculations
of the volumetric properties of single-solute electrolyte solutions.
The databases for the densities and the apparent molal volumes versus
concentrations were created at 298.15 °K using essentially all
published relevant data for each single-solute electrolyte solution.
Home
Volume 25, No.
1 1996
Heat Capacities
and Entropies of Organic Compounds in the Condensed Phase. Volume III,
p. 1
Eugene S. Domalski
and Elizabeth D. Hearing
This compilation
includes heat capacities and entropies at 298.15 K of 2484 discrete
organic compounds in the condensed phase. All data reported in Volumes
I and II of this series and additional data in the literature through
1993 are included. In addition, phase transitions for solid/solid, solid/liquid,
and in some instances, solid/gas are tabulated.
JPCRD
- Vol. 26, 1997
JPCRD - Vol. 27, 1998
JPCRD
Supplement & Monographs
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