bluuebunny/crossref_metadata_2025 huggingface dataset:
Microstructure of epitaxial strained BiCrO3 thin films
Authors: David A. , Boullay Ph. , Mangalam R. V. K. , Barrier N. , Prellier W.
Published: June 2010

The structure and microstructure of fully strained BiCrO3 thin films have been investigated by x-rays diffraction and transmission electron diffraction, at room temperature. Interestingly, three structural variants are simultaneously stabilized within the film. While two of them are consistent with the existing phases in the bulk-below and above the 420 K structural transition, a different phase is identified. The existence of various structures has been attributed to the inhomogeneous distribution of local strains and oxygens resulting from a minimization of the strain-energy at the interface. These findings will open the route to a better understanding of Bi-based perovskites and metastable phases.
Guided acoustic wave resonators using an acoustic Bragg mirror
Authors: Koné I. , Domingue F. , Reinhardt A. , Jacquinot H. , Borel M. , Gorisse M. , Parat G. , Casset F. , Pellissier-Tanon D. , Carpentier J. F. , Buchaillot L. , Dubus B.
Published: June 2010

Lamb wave devices have recently gained an interest for providing narrow bandpass filters in wireless transmission systems. Their cointegration with film bulk acoustic wave resonators is a major advantage, enabling the possibility to provide simultaneously several radio frequency and intermediate-frequency filters in a single fabrication. Similarly, in this work, we report the fabrication of resonators using waves guided in a piezoelectric layer deposited atop a Bragg mirror. Such waves exhibit a behavior close to Lamb waves, thanks to the acoustic isolation provided by the mirror, while being cointegrated along with solidly mounted resonator structures.
On direct-writing methods for electrically contacting GaAs and Ge nanowire devices
Authors: Chen Guannan , Gallo Eric M. , Burger Jonadan , Nabet Bahram , Cola Adriano , Prete Paola , Lovergine Nico , Spanier Jonathan E.
Published: June 2010

The electronic transport and gating characteristics in GaAs and Ge nanowires (NWs) are altered significantly following either indirect or direct exposure to a focused Ga+ ion beam (FIB), such as that used to produce Pt electrical contacts to NWs. While these results challenge the assumptions made in some previously reported work relating to the electronic properties of semiconductor NWs using FIB-assisted production of contacts and/or their leads, local electron beam induced deposition is shown to be a reliable and facile route for producing robust electrical contacts to individual vapor phase-grown NWs in a manner that enables study of their actual carrier transport properties.
Determining magnetic nanoparticle size distributions from thermomagnetic measurements
Authors: DiPietro R. S. , Johnson H. G. , Bennett S. P. , Nummy T. J. , Lewis L. H. , Heiman D.
Published: June 2010

Thermomagnetic measurements are used to obtain the size distribution and anisotropy of magnetic nanoparticles. An analytical transformation method is described which utilizes temperature-dependent zero-field cooling magnetization data to provide a quantitative measurement of the average diameter and relative abundance of superparamagnetic nanoparticles. Applying this method to self-assembled MnAs nanoparticles in MnAs–GaAs composite films reveals a log-normal size distribution and reduced anisotropy for nanoparticles compared to bulk materials. This analytical technique holds promise for rapid assessment of the size distribution of an ensemble of superparamagnetic nanoparticles.
Ferroelectric polarization and domain walls in orthorhombic (K1−xNax)NbO3 lead-free ferroelectric ceramics
Authors: Lu Ning , Yu Rong , Cheng Zhiying , Dai Yejing , Zhang Xiaowen , Zhu Jing
Published: June 2010

Combining aberration-corrected high-resolution transmission electron microscopy with first-principles calculations, we have investigated the ferroelectric polarization and the atomic structures of 60°/120° domain walls in orthorhombic (K0.46Na0.54)NbO3 lead-free ferroelectric ceramics. The projections of cation-oxygen dipoles across the 60°/120° domain walls were determined using the recently developed negative spherical-aberration imaging technique. The measured ferroelectric distortion matched well with that obtained from first-principles calculations. The width across the wall was measured to be ∼1.1 nm.
Bubble generation in a nanoconfined liquid film between dielectric-coated electrodes under alternating current electric fields
Authors: Xie Guoxin , Luo Jianbin , Liu Shuhai , Guo Dan , Zhang Chenhui
Published: June 2010

In this letter, the bubble generation behavior in a nanoconfined liquid film under external alternating current (ac) electric fields (EEFs) has been investigated with the relative optical interference intensity technique. A counterintuitive phenomenon has been found that bubbles generate more easily and intensively when the electrode is coated with a dielectric coating while the total electrical power in the system is significantly lower than the case without the coating. The bubble generation under ac EEFs has been found to be highly ac frequency dependent. The variations in the threshold external voltage and current beyond which bubbles begin to generate with the frequency become more significant in the system with a dielectric-coated electrode. Mechanisms of these experimental phenomena have been discussed.
Emergence of ferromagnetism in antiferromagnetic TbMnO3 by epitaxial strain
Authors: Marti X. , Skumryev V. , Ferrater C. , García-Cuenca M. V. , Varela M. , Sánchez F. , Fontcuberta J.
Published: June 2010

We show that in oxide thin films of spiral antiferromagnetic orthorhombic TbMnO3, ferromagnetism emerges resulting from epitaxially induced strain. The unit cell volume can be tuned (contracting up to a 2%) by varying thickness and deposition conditions; it is found that the ferromagnetic response correlates with the unit cell deformation. Such effect of strain on the magnetic properties turns out to be similar to that occurring in collinear orthorhombic antiferromagnets such as YMnO3. Owing to the intimate relationship between magnetic order and ferroelectricity in TbMnO3 these results may provide a new route to induce magnetoelectric coupling and tailor their ferroelectric response.
Hierarchical domains in Na1/2Bi1/2TiO3 single crystals: Ferroelectric phase transformations within the geometrical restrictions of a ferroelastic inheritance
Authors: Yao Jianjun , Ge Wenwei , Luo Liang , Li Jiefang , Viehland D. , Luo Haosu
Published: June 2010

We have found unique hierarchical domains in Na1/2Bi1/2TiO3 single crystals. A tetragonal ferroelastic domain structure is unchanged on cooling from 520 to 25 °C. Polar microdomains then nucleated on cooling in the rhombohedral ferroelectric phase within the geometrical restrictions imposed by the inherited ferroelastic domains.
Extreme water state produced by underwater wire-array electrical explosion
Authors: Fedotov-Gefen A. , Efimov S. , Gilburd L. , Gleizer S. , Bazalitsky G. , Gurovich V. Tz. , Krasik Ya. E.
Published: June 2010

The generation of an extreme water state (130 GPa, 5000 K, and 3.4 g/cm3) which is characterized as dense plasma at the axis of a converging shock wave is reported. A 4 kJ pulse generator was used to explode a 40 Cu-wire array, generating a cylindrical shock wave. The measured shock wave trajectory and energy deposited into the water flow were used in hydrodynamic simulations coupled with the equation of state to determine the water parameters. The temperature estimated using the emission data of water in the vicinity of the implosion axis agrees with the simulation results, indicating shock wave symmetry in such extreme conditions.
Multidielectric polarizations in the core/shell Co/graphite nanoparticles
Authors: Zhang X. F. , Guan P. F. , Dong X. L.
Published: June 2010

Hybrid core/shell Co/graphite nanoparticles synthesized by an arc-discharge method exhibit an enhanced dielectric loss property in the frequency range of 2–18 GHz. Complex permittivity expressed by Debye dipolar polarization approximate show that three kinds of dielectric polarizations coexist in this hybrid system. Combined with theoretical simulation, we further clarified that the dielectric polarizations are ascribed to the high defective graphite shells, and additional interfacial polarizations arising from the special core/shell architecture.
Density-activated defect recombination as a possible explanation for the efficiency droop in GaN-based diodes
Authors: Hader J. , Moloney J. V. , Koch S. W.
Published: June 2010

It is shown that a carrier loss process modeling density-activated defect recombination can reproduce the experimentally observed droop of the internal quantum efficiency in GaN-based laser diodes.
First-principles study of strong rectification and negative differential resistance induced by charge distribution in single molecule
Authors: Min Y. , Yao K. L. , Fu H. H. , Liu Z. L. , Li Q.
Published: June 2010

For molecule-scale transport systems, a mechanism that the charge distribution of molecule under the various bias voltages can induce strong effect of rectification and negative differential resistance is proposed. Based on nonequilibrium Green’s function combined with density functional theory, the proposal is testified by performing the first-principles calculations of transport characteristics of 2-(4′-thiolate-butyl)-6-thiol-anthrecene molecule sandwiched in two gold electrodes. The strong effect of rectification and negative differential resistance is obtained. The rectification effect is as large as 16.
Ideal gas thermodynamic properties of ethylene and propylene
Authors: Chao Jing , Zwolinski Bruno J.
Published: June 2010

The ideal gas thermodynamic properties [H °−H °0, (G°−H °0)/T, (H °−H °0)/T, S °, C °p, ΔHf °, ΔGf °, and log Kf] for ethylene and propylene in the temperature range 0 to 1500 K and at 1 atm have been calculated by the statistical thermodynamic method employing the most recent fundamental and molecular spectroscopic constants. The internal rational contributions to thermodynamic properties for propylene were generated based on an internal rotation partition function formed by summation of internal rotation energy levels. The energy levels were derived from the potential function V (cm−1) =349.2(1−cos 3ϑ)−6.5(1−cos 6ϑ). The calculated heat capacities and entropies were compared with the available experimental values.
Atomic form factors, incoherent scattering functions, and photon scattering cross sections
Authors: Hubbell J. H. , Veigele Wm. J. , Briggs E. A. , Brown R. T. , Cromer D. T. , Howerton R. J.
Published: June 2010

Tabulations are presented of the atomic form factor, F (α,Z), and the incoherent scattering function, S (x,Z), for values of x (=sin ϑ/2)/λ) from 0.005 Å−1 to 109 Å−1, for all elements A=1 to 100. These tables are constructed from available state-of-the-art theoretical data, including the Pirenne formulas for Z=1, configuration-into action results by Brown using Brown-Fontana and Weiss correlated wavefunctions for Z=2 to 6 non-relativistic Hartree-Fock results by Cromer for Z=7 to 100 and a relativistic K-shell analytic expression for F (x,Z) by Bethe Levinger for x≳10 Å−1 for all elements Z=2 to 100. These tabulated values are graphically compared with available photon scattering angular distribution measurements. Tables of coherent (Rayleigh) and incoherent (Compton) total scattering cross sections obtained by numerical integration over combinations of F2(x,Z) with the Thomson formula and S (x,Z) with the Klum-Nishina Formual, respectively, are presented for all elements Z=1 to 100, for photon energies 100 eV (λ=124 Å) to 100 MeV (0.000124 Å). The incoherent scattering cross sections also include the radiative and double-Compton corrections as given by Mork. Similar tables are presented for the special cases of terminally-bonded hydrogen and for the H2 molecule, interpolated and extrapolated from values calculated by Stewart et al., and by Bentley and Stewart using Kolos-Roothaan wavefunctions.
Ideal gas thermodynamic properties and isomerization of n-butane and isobutane
Authors: Chen S. S. , Wilhoit R. C. , Zwolinski B. J.
Published: June 2010

Reported Values of Structural parameters, vibrational fundamentals, and potential energy functions for internal rotation of n-butane and isobutane are reviewed. The selected values were used to calculate the thermodynamic properties (C°p, S°, (H°-H°0)/T) in the temperature range of O to model. Contributions of internal rotation were evaluated by the direct sum of terms containing energy levels which were calculated with a one-dimensional potential model. For internal rotation about the central C-C bond in n-butane, energy levels were approximated by two procedures. A inique potential function was assumed for each methyl rotor of n-butane or of isobutane. Top-top interactions in isobutane were approximated by the potential parameter V-d6 which was determined empirically by comparison with thermodynamic data. The calculated and observed values of heat capacities and entropies agree well within experimental uncertainties. Standard enthalpies of formation of 298.15 K for the ideal gaseous state were selected from measured values of heats of combustion and third-law enthalpies for isomerization. Corresponding values of ΔHf°, and log Kf are tabulated over the same temperature range.
Microwave spectra of molecules of astrophysical interest IX. Acetaldehyde
Authors: Bauder A. , Lovas F. J. , Johnson D. R.
Published: June 2010

The microwave spectrum of acetaldehyde is critically reviewed and augmented through calculations which include the effects of internal rotation and centrifugal distortion. Since the primary objective of this review is to provide microwave spectral transitions applicable to radio astronomy studies, the review encompasses only the ground state rotational spectrum of the most abundant isotopic form of acetaldehyde, 12CH312CH16O. While all measured transitions are included, the predicted transition frequencies were limited to J?12 in the range of 900 MHz to 250 GHz. In addition to this spectral information, the review includes the rotational constants, centrifugal distortion constants, inertial rotation parameters, electric dipole moment, structural data, moments of inertia, and constants relating to the barrier to internal rotation.
Ideal gas thermodynamic properties of propanone and 2-butanone
Authors: Chao Jing , Zwolinski Bruno J.
Published: June 2010

The ideal gas thermodynamic properties (Cp0, S0, H0−H00, (H0−H00)/T, −(G′−H00)/T,ΔHf0, ΔGf0, and log Kf) for propanone and 2-butanone in the temperature range 0 to 1500 K and at 1 atm were calculated by statistical mechanical procedures, using rigid-rotor and harmonic-oscillator approximations. The internal rotation contributions to thermodynamic properties were evaluated by use of a partition function formed by summation of internal rotation energy levels. The calculated heat capacities and entropies are in agreement with the available experimental values.
Ideal gas thermodynamic properties of six chlorofluoromethanes
Authors: Chen S. S. , Wilhoit R. C. , Zwolinski B. J.
Published: June 2010

Spectroscopic and thermal data were reviewed. The selected values for the principal moments of inertia, the vibrational fundamentals, and the standard enthalpy of formation at 298.15 K for each of the six chlorofluoromethanes were used to derive the chemical thermodynamic properties of molecules from 0 to 1500 K, based on the rigid-rotor harmonic-oscillator approximation. The calculated values are in accord with experimental heat capacities and entropies.
Nuclear moments and moment ratios as determined by Mössbauer spectroscopy
Authors: Stevens J. G. , Dunlap B. D.
Published: June 2010

Values are given for Mössbauer effect measurements of nuclear magnetic moments, spectroscopic quadrupole moments, ratios of moments between low lying excited states and the ground state of the same isotope, and ratios of moments between states of different isotopes. Adopted values for moments, obtained by direct selection of selection of specific results or by an averaging process, are presented. The literature has been covered through December, 1974.
Electrical resistivity of copper, gold, palladium, and silver
Authors: Matula R. A.
Published: June 2010

In this work, recommended values for the electrical resistivity as a function of temperature from the cryogenic region to well beyond the melting point are given for bulk pure copper, gold, palladium, and silver. In addition to the total electrical resistivity values for the solid state, intrinsic electrical resistivity values are presented from cryogenic temperatures to the melting point. The values are corrected for the change in geometry due to thermal expansion. The recommendations are based on theoretical considerations and on the experimental data found in the open literature. That available experimental data together with information pertaining to the specimen characterization and measurement conditions are included in this work. The methods of data evaluation and other considerations used in arriving at the recommendations are described. For the solid state, an interpolation scheme is given to aid in the determination of values between those supplied in the tables; for the liquid state, equations are given.
Energy levels of sodium Na I through Na XI
Authors: Martin W. C. , Zalubas Romuald
Published: June 2010

Energy level data are given for the atom and all positive ions of sodium (Z = 11). These data have been critically compiled, mainly from published material on measurements and analyses of the optical spectra. We have derived or recalculated the levels for a number of the ions. In addition to the level value in cm−1 and the parity, the J value and the configuration and term assignments are listed if known. Leading percentages from the calculated eigenvectors are tabulated wherever available. Ionization energies are given for all spectra.
Energy levels of nickel, Ni I through Ni XXVIII
Authors: Corliss Charles , Sugar Jack
Published: June 2010

The energy levels of the nickel atom in all of its stages of ionization, as derived from the analyses of atomic spectra, have been critically compiled. In cases where only line classifications are reported in the literature, level values have been derived. Electron configurations, term designations, J-values, experimental g-values, and ionization energies are included.
Tables of the dynamic and kinematic viscosity of aqueous NaCl solutions in the temperature range 20–150 °C and the pressure range 0.1–35 MPa
Authors: Kestin Joseph , Khalifa H. Ezzat , Correia Robert J.
Published: June 2010

Tabulated values of the dynamic and kinematic viscosity of aqueous sodium chloride solutions are given. The tables cover the temperature range 20–150 °C, the pressure range 0.1–35 MPa and is the concentration range 0–6 molal. It is estimated that the accuracy of the tabulated values is ±0.5%. The correlating equations from which the tables were generated are given.
Atomic transition probabilities for iron, cobalt, and nickel (A critical data compilation of allowed lines)
Authors: Fuhr J. R. , Martin G. A. , Wlese W. L. , Younger S. M.
Published: June 2010

Atomic transition probabilities for about 5100 spectral lines of the elements iron, cobalt, and nickel in all stages of ionization have been critically evaluated and compiled. All available literature sources have been considered. Systematic trends along isoelectronic sequences have been exploited to predict oscillator strengths (f-values) whenever no data were available in the literature. The data are presented in separate tables for each element and stage of ionization and are arranged according to multiplets and, where appropriate, also according to transition arrays and increasing quantum numbers. For each line the transition probability for spontaneous emission, the absorption oscillator strength, and the line strength are given, along with the spectroscopic designation, the wavelength, the statistical weights, and the energy levels (when available) of the upper and lower atomic states. In addition, the estimated accuracy and the literature reference are indicated. In short introductions which precede the tables for each spectrum, the main justifications for the choice of the adopted data and for the accuracy ratings are discussed. A general introduction contains additional details on the evaluation procedure.
Thermodynamic tabulations for selected phases in the system CaO-Al2O3- SiO2-H2 at 101.325 kPa (1 atm) between 273.15 and 1800 K
Authors: Haas Jr. John L. , Robinson Jr. Glipin R. , Hemingway Bruce S.
Published: June 2010

The standard thermodynamic properties of phases in the lime-alumina-silica- water system between 273.15 and 1800 K at 101.325 kPa (1 atm) were evalated from published experimental data. Phases included in the compilation are boehmite, diaspore, gibbsite, kaolinite, dickite, halloysite, andalusite, kyanite, sillimanite, Ca-Al cliniopyroxene, anorthite, gehlenite, grossular, prehnite, zoisite, margarite, wollastonite, cyclowollastonite ( = pseudowollastonite), larnite, Ca olivine, hatrurite, and rankinite. The properties include heat capacity, entropy, relative enthalpy, and the Gibbs energy function of the phases and the enthalpies, Gibbs energies, and equilibrium constants for formation both from the elements and the oxides. Tabulated values are given at 50 K intervals with the 2-sigma confidence limit at 250 K intervals. Summaries for each phase give the temperature- dependent functions for heat capacity, entropy, and relative enthalpy and the experimental data used in the final evaluation.
Tables of N2O absorption lines for the calibration of tunable infrared lasers from 522 cm−1 to 657 cm−1 and from 1115 cm−1 to 1340 cm−1
Authors: Olson W. B. , Maki A. G. , Lafferty W. J.
Published: June 2010

Data from the literature has been critically selected and refitted by least squares to provide accurate vibrational band centers and rotational constants for three bands of N2O. The line positions of the bands have been calculated from the constants of the fits to provide accurate absorption line positions to serve as wavelength standards in the regions of 522 cm−1 to 657 cm−1 and from 1115 cm−1 to 1340 cm−1 in the infrared.
Microwave spectra of molecules of astrophysical interest. XX. Methane
Authors: Ozier I. , Gerry M. C. L. , Robiette A. G.
Published: June 2010

The available data on methane are critically reviewed for information applicable to radio astronomy. Molecular data such as rotational constants, centrifugal distortion constants, and the distortion electric dipole moment are presented for 12CH4 and 13CH4. Observed microwave, infrared-microwave double resonance, and molecular beam measurements of (ΔJ = 0) frequencies are tabulated along with experimental uncertainties which represent estimated 95% confidence limits. For 12CH4, these data have been analyzed to predict all Q-branch rotational transitions for J?20; the predictions are presented with 95% confidence limits which have been calculated from the analysis.
Energy levels of cobalt, Co I through Co XXVII
Authors: Sugar Jack , Corliss Charles
Published: June 2010

The energy levels of the cobalt atom in all of its stages of ionization, derived from analyses of atomic spectra, have been critically compiled. In cases where only line classifications are reported in the literature, level values have derived. Electron configurations, term designations, J-values, experimental g-values, leading percentages and ionization energies are included.
Rate constants for the decay and reactions of the lowest electronically excited singlet state of molecular oxygen in solution
Authors: Wilkinson Francis , Brummer James G.
Published: June 2010

The available rate data on the reactivity and physical deactivation of molecular oxygen in its first electronic excited state (1Δg) in liquid solution have been critically compiled. Where possible, relative rates reported in the literature have been normalized to standard values selected by a statistical analysis of the experimental data. Second order rate constants for the deactivation and chemical reaction of singlet oxygen are reported for 670 compounds. Additionally, psuedo first order rate constants (kd) for solvent deactivation of singlet oxygen are reported for 50 different solvents.
Microwave Spectra of Molecules of Astrophysical Interest. XXI. Ethanol (C2H5OH) and Propionitrile (C2H5CN)
Authors: Lovas F. J.
Published: June 2010

The microwave spectra of ethanol (C2H5OH) and propionitrile (ethyl cyanide, C2H5CN) are critically reviewed and supplemented with spectral frequency calculations which include rotational and centrifugal distortion terms in the molecular Hamiltonian. The primary objective of this review is to provide the microwave transition frequencies applicable to molecular radio astronomy for the ground vibrational state of the most abundant isotopic forms, namely, 12C2H516OH and 12C2H512C14N. Since the internal rotation and hyperfine splittings for these species have not been resolved in most of the reported laboratory studies and also not detected in the molecular clouds observed by radio astronomers, these splittings have been ignored in the present calculations. All measured rotational transitions are included, however, the predicted transition frequencies were limited to J = 25 for ethanol and J = 30 for propionitrile over the range of 1 GHz to 300 GHz. A complete summary of the laboratory studies of both species is included for all isotopic forms with references to all prior studies.
Critical Evaluation of Vapor-Liquid Equilibrium, Heat of Mixing, and Volume Change of Mixing Data. General Procedures
Authors: Smith Buford D. , Muthu Ol , Dewan Ashok , Gierlach Matthew
Published: June 2010

This paper is the first in a series of reports on the critical evaluation of vapor-liquid equilibrium, heat of mixing, and volume change of mixing data for binary liquid mixtures of nonelectrolytes. The specific evaluation procedures for each property will be covered in subsequent articles. This paper describes the general procedures used to support the mixture evaluation work. The areas covered include the procedures used to cover the primary and secondary literature, the computer program libraries developed for pure compound and mixture data processing, the procedures used to evaluate and correlate the pure compound property data for use by the mixture programs, and the efforts made to make the best equation of state available to the vapor-liquid equilibrium data reduction programs. Improvements are suggested for the presentation of mixture data in the literature.
Rate Coefficients for Vibrational Energy Transfer Involving the Hydrogen Halides
Authors: Leone Stephen R.
Published: June 2010

A comprehensive compilation of rate coefficients for vibration-to-vibration (V−V) and vibration-to-translation (V−T) energy transfer processes involving hydrogen halide molecules is presented. The literature has been surveyed from 1966 to July 1981. Rate coefficients are grouped according to room temperature and low and high temperature results. Measured results are identified according to the type of process: V−V, V−T, or the sum of  V−V and V−T processes. The method of measurement is identified along with the energy discrepancy, percent error, authors, and year of publication. The results are seen to be in excellent agreement when multiple measurements are available.
Heat Capacity and Other Thermodynamic Properties of Linear Macromolecules VI. Acrylic Polymers
Authors: Gaur Umesh , Lau Suk-fai , Wunderlich Brent B. , Wunderlich Bernhard
Published: June 2010

Heat capacity of poly(methyl methacrylate), polyacrylonitrile, poly(methyl acrylate), poly(ethyl acrylate), poly(n-butyl acrylate), poly(iso-butyl acrylate), poly(octadecyl acrylate), poly(methacrylic acid), poly(ethyl methacrylate), poly(n-butyl methacrylate), poly(iso-butyl methacrylate), poly(hexyl methacrylate), poly(dodecyl methacrylate), poly(octadecyl methacrylate) and polymethacrylamide is reviewed on the basis of measurements on 35 samples reported in the literature. A set of recommended data are derived for each acrylic polymer in the amorphous state. Enthalpy and entropy functions are calculated for poly(methyl methacrylate) and polyacrylonitrile. This is the sixth paper in a series of publications which will ultimately cover all heat capacity measurements on linear macromolecules.
Heat Capacity and Other Thermodynamic Properties of Linear Macromolecules. VIII. Polyesters and Polyamides
Authors: Gaur Umesh , Lau Suk-fai , Wunderlich Brent B. , Wunderlich Bernhard
Published: June 2010

Heat capacity of polyglycolide, poly(ε-caprolactone), poly(ethylene terephthalate), poly(ethylene sebacate), polyglycine, poly(L-alanine), poly(L-valine),nylon 6, nylon 6.6 and nylon 6.12 is reviewed on the basis of measurements on 35 samples reported in the literature. All heat capacity data are compiled and a set of recommended data have been derived for each polymer. Crystallinity dependence is critically evaluated for poly(ethylene terephthalate). Enthalpy and entropy functions are calculated for amorphous poly(ethylene terephthalate). This is the eighth paper in a series of publications which will ultimately cover all heat capacity measurements of linear macromolecules.
The Solubility of Oxygen and Ozone in Liquids
Authors: Battino Rubin , Rettich Timothy R. , Tominaga Toshihiro
Published: June 2010

This review covers the solubility of oxygen and ozone in liquids as a function of temperature and pressure. Solubility data for individual systems were critically evaluated and recommended or tentative values presented in many cases. The trend of solubilities in homologous series or related solvents is discussed. Liquids include water; seawater; aqueous salt solutions; mixed solvents; hydrocarbons; organic compounds containing oxygen, halogen, sulfur, nitrogen, or silicon; olive oil; and human blood. For ozone, only its solubility in water is presented. Key words: aqueous solutions; biological fluids; gas solubility; hydrocarbons; mixed solvents; organic solvents; oxygen; ozone; seawater; water.
Recommended Values for the Thermal Expansivity of Silicon from 0 to 1000 K
Authors: Swenson C. A.
Published: June 2010

Silicon, a high melting point, low expansivity, cubic material which can be obtained readily in high purity form, provides an excellent thermal expansion standard. Various absolute determinations of the thermal expansivity of both single crystal and polycrystalline silicon are used to establish a smooth relationship from 90 to 850 K which is believed to be reliable to roughly 10−8 K−1, and which is extrapolated to 1000 K. Values also are suggested for temperatures to absolute zero. Key words: high temperature expansivity; silicon; standard expansivities; thermal expansivity.
Electrical Resistivity of Ten Selected Binary Alloy Systems
Authors: Ho C. Y. , Ackerman M. W. , Wu K. Y. , Havill T. N. , Bogaard R. H. , Matula R. A. , Oh S. G. , James H. M.
Published: June 2010

This work compiles, reviews, and discusses the available data and information on the electrical resistivity of ten selected binary alloy systems and presents the recommended values resulting from critical evaluation, correlation, analysis, and synthesis of the available data and information. The ten binary alloy systems selected are the systems of aluminum–copper, aluminum–magnesium, copper–gold, copper–nickel, copper–palladium, copper–zinc, gold–palladium, gold–silver, iron–nickel, and silver–palladium. The recommended values for each of the ten binary alloy systems except three (aluminum–copper, aluminum–magnesium, and copper–zinc) are given for 27 compositions: 0 (pure element), 0.5, 1, 3, 5, 10(5)95, 97, 99, 99.5, and 100% (pure element). For aluminum–copper, aluminum–magnesium, and copper–zinc alloy systems, the recommended values are given for 26, 12, and 11 compositions, respectively. For most of the alloy systems the recommended values cover the temperature range from 1 K to the solidus temperature of the alloys or to about 1200 K. For most of the nine elements constituting the alloy systems, the recommended values cover the temperature range from 1 K to above the melting point into the molten state. The estimated uncertainties in most of the recommended values are about ±3% to ±5%. Key words: alloy systems; alloys; conductivity; critically evaluated data; data analysis; data compilation; data synthesis; electrical conductivity; electrical resistivity; metals; recommended values; resistivity.
Evaluation of Binary Excess Enthalpy Data for C6 Hydrocarbons. Benzene+Hexane
Authors: Smith Buford D. , Muthu Ol , Dewan Ashok
Published: June 2010

The excess enthalpy data for the benzene+hexane system are evaluated. The needs for new experimental data are defined. Key words: benzene; excess enthalpy; heat of mixing; hexane.
Atlas of the High-Temperature Water Vapor Spectrum in the 3000 to 4000 cm−1 Region
Authors: Pine A. S. , Coulombe M. J. , Camy-Peyret C. , Flaud J-M.
Published: June 2010

An atlas of the high-temperature (1200 K) absorption spectrum of water vapor in the 3000 to 4000 cm−1 region is presented. The infrared spectrum was recorded at Doppler-limited resolution using a tunable difference-frequency laser spectrometer. The spectral region scanned encompasses the strong OH stretching fundamentals, ν1 and ν3, and the bending overtone, 2ν2, as well as associated hot bands. Almost all the lines have been assigned using a model Hamiltonian which yields very satisfactory agreement between calculated and observed line positions for J up to 27 or Ka up to 14. The calculated eigenvectors applied to the transition moment operator predict the measured line intensities quite closely. This work should serve as a reference for analyzing spectra from high-temperature sources such as combustion exhausts and cool stars.
Chemical Kinetic Data Sheets for High-Temperature Chemical Reactions
Authors: Cohen N. , Westberg K. R.
Published: June 2010

A new program for the compilation and evaluation of chemical kinetic data is described. Rate coefficient measurements are assessed for probable accuracy and precision. Transition-state theory is often used to extrapolate measurements to higher temperatures. For every reaction reviewed, a recommended rate coefficient is given in the form k=ATn ×exp(−B/T). Pertinent data and conclusions are summarized on a two-page Data Sheet, each sheet covering one reaction or occasionally two or three closely related reactions. Twenty-seven Data Sheets are presented for reactions important in modeling and understanding chemical lasers, hydrogen–oxygen combustion, hydrocarbon oxidation, and aluminum or boron propellant systems.
Evaluated Theoretical Cross Section Data for Charge Exchange of Multiply Charged Ions with Atoms. I. Hydrogen Atom-Fully Stripped Ion Systems
Authors: Janev R. K. , Bransden B. H. , Gallagher J. W.
Published: June 2010

The existing theoretical cross section data for the charge exchange process of multiply charged fully stripped ions with hydrogen atoms are evaluated in the energy range from ∼10 eV/u to ∼103 keV/u. The evaluation has been performed on the basis of both pure theoretical arguments and comparison with the most accurate experimental cross sections. The ionic charge state ranges from Z=2 to Z=54. The theoretical methods for calculation of the charge exchange cross sections are briefly discussed, and their regions of validity and the accuracy of the produced data are assessed.
A Correlation of the Viscosity and Thermal Conductivity Data of Gaseous and Liquid Ethylene
Authors: Holland P. M. , Eaton B. E. , Hanley H. J. M.
Published: June 2010

Data for the viscosity and thermal conductivity coefficient of gaseous and liquid ethylene have been evaluated and represented by an empirical function, developed in previous work. Tables of values are presented for the range 110–500 K for pressures to 50 MPa (≊500 atm). Both the viscosity and thermal conductivity coefficients are estimated to have uncertainties of about ±5% increasing to 10% in the dense liquid. It is stressed that the data base could be improved. As in our work with other fluids, the anomalous contribution to the thermal conductivity in the vicinity of the critical point is included.
Thermophysical Properties of Fluid H2O
Authors: Kestin J. , Sengers J. V. , Kamgar-Parsi B. , Sengers J. M. H. Levelt
Published: June 2010

In view of the important role that water substance plays in science and industry, this paper lists the thermophysical properties of fluid H2O which are most needed for engineering applications. The properties are described in a very compact form with the aid of explicit expressions for programing on a computer and for inclusion in data banks. The paper includes a fundamental equation in the form of the Helmholtz free energy expressed as an analytic function of temperature and density. This fundamental equation is a dimensionless version of the Provisional IAPS Formulation 1982 for the Thermodynamic Properties of Ordinary Water Substance for Scientific and General Use, which enables one to calculate all equilibrium thermodynamic properties in a wide range of states, but with the exclusion of a small region near the critical point. In the latter region, the equilibrium properties are described by a scaled fundamental equation in the form of the pressure as a function of chemical potential and temperature. In addition, the paper gives equations for the viscosity, thermal conductivity, and surface tension. All equations in the paper are mutually thermodynamically consistent. The set of equations and their constants listed here represents the most reliable information according to the judgment of the authors.
Thermodynamic Properties of Aqueous Sodium Chloride Solutions
Authors: Pitzer Kenneth S. , Peiper J. Christopher , Busey R. H.
Published: June 2010

Experimental measurements of the osmotic and activity coefficients, the enthalpy, and the heat capacity were used to derive a semiempirical equation for the thermodynamic properties of NaCl(aq) at constant pressure. This equation may be combined with results contained in the previous paper on the volumetric properties to yield a complete equation of state valid in the region 273 K≤T≤573 K, saturation pressure ≤P≤1 kbar, 0≤m≤6.0 mol kg−1. It is shown that this equation may be extrapolated to higher solute molalities at lower pressures. An estimation of uncertainties in various quantities is given. Tables of values for various thermodynamic properties are presented in the appendix.
Thermophysical Properties of Fluid D2O
Authors: Kestin J. , Sengers J. V. , Kamgar-Parsi B. , Sengers J. M. H. Levelt
Published: June 2010

The present publication contains data on the thermophysical properties of deuterium oxide (heavy water). It is a companion to the paper on the thermophysical properties of fluid H2O published earlier in this journal by the same authors. The properties are represented by equations which can be readily programed on a computer and incorporated in data banks. All data have been carefully and critically analyzed. The compendium represents the best available data for fluid D2O.
A Review of Deuterium Triple-Point Temperatures
Authors: Schwalbe L. A. , Grilly E. R.
Published: June 2010

A review is presented of the existing measurements of the triple-point temperatures Ttp of deuterium. All data are adjusted to a common temperature scale, and error limits are proposed where none was provided in the source publications. The effects of sample contamination are also considered. Impurity corrections, based on estimates from vapor-pressure measurements, are applied to the results. The analytical representation Ttp(x)=18.680+0.155x, where x is the fraction of p-D2 (J=1), is found to represent Ttp to ±0.010 K. The value, 18.723±0.010 K, measured most recently on normal deuterium is consistent with the most accurate and precise of the earlier data.
Representative Equations for the Thermal Conductivity of Water Substance
Authors: Sengers J. V. , Watson J. T. R. , Basu R. S. , Kamgar-Parsi B. , Hendricks R. C.
Published: June 2010

The paper documents the development of the available information for the thermal conductivity of fluid H2O since the promulgation of the first international formulation for the transport properties of water substance in 1964. As a result of this development, the International Association for the Properties of Steam has adopted new recommended interpolating equations for the thermal conductivity of fluid H2O at pressures up to 100 MPa and at temperatures up to 800 °C. These new international equations are discussed.
Evaluated Kinetic and Photochemical Data for Atmospheric Chemistry: Supplement II. CODATA Task Group on Gas Phase Chemical Kinetics
Authors: Baulch D. L. , Cox R. A. , Hampson R. F. , Kerr (Chairman) J. A. , Troe J. , Watson R. T.
Published: June 2010

This paper updates and extends previous critical evaluations of the kinetics and photochemistry of gas phase chemical reactions of neutral species involved in atmosphere chemistry [J. Phys. Chem. Ref. Data 9, 295 (1980); 11 327 (1982)]. The work has been carried out by the authors under the auspices of the CODATA Task Group on Gas Phase Chemical Kinetics. Data sheets have been prepared for 256 thermal and photochemical reactions, 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. The data sheets are intended to provide the basic physical chemical data needed as input for calculations which model atmospheric chemistry. A table summarizing the preferred rate data is provided, together with an appendix listing the available data on enthalpies of formation of the reactant and product species.
Electrical Resistivity of Aluminum and Manganese
Authors: Desai P. D. , James H. M. , Ho C. Y.
Published: June 2010

This work compiles, reviews, and discusses the available data and information on the electrical resistivity of aluminum and manganese and presents the recommended values resulting from critical evaluation, correlation, analysis, and synthesis of the available data and information. The recommended values presented are uncorrected and also corrected for the thermal expansion of the material and cover the temperature range from 1 K to above the melting point into the molten state for aluminum and to 700 K for manganese. The estimated uncertainties in most of the recommended values are about ±2% to ±5%.
Microwave Spectra of Molecules of Astrophysical Interest. XXII. Sulfur Dioxide (SO2)
Authors: Lovas F. J.
Published: June 2010

The microwave spectrum of sulfur dioxide (SO2) is critically reviewed and supplemented with spectral frequency calculations derived from rotational and centrifugal distortion terms in the molecular Hamiltonian. The primary objective of this review is to provide the microwave transition frequencies applicable to molecular radio astronomy for the ground vibrational state of the most abundant isotopic forms, i.e., the singly substituted atoms 33S and 34S. Also included is an analysis of the lowest lying vibrationally excited state (ν2=1) of 32S16O2. The frequency limits and maximum rotational quantum value (J) vary for each isotopic form but for 32S16O2 the frequency range 100 MHz to 650 GHz is presented for Jmax=60.
Thermodynamic Properties of Key Organic Oxygen Compounds in the Carbon Range C1 to C4. Part 1. Properties of Condensed Phases
Authors: Wilhoit Randolph C. , Chao Jing , Hall Kenneth R.
Published: June 2010

A survey of the published values of heat capacity and enthalpy obtained from calorimetric measurements on the crystal, glass, and liquid phases of the first few members of homologous series expressed as polynomial functions of temperature were fit to selected data by a least squares procedure. Tables of smoothed values of thermodynamic properties, derived from these functions, are presented for 38 compounds.
Chemical Kinetic Data Base for Combustion Chemistry. Part I. Methane and Related Compounds
Authors: Tsang W. , Hampson R. F.
Published: June 2010

This document contains evaluated data on the kinetics and thermodynamic properties of species that are of importance in methane pyrolysis and combustion. Specifically, the substances considered include H, H2, O, O2, OH, HO2, H2O2, H2O, CH4, C2H6, HCHO, CO2, CO, HCO, CH3, C2H5, C2H4, C2H3, C2H2, C2H, CH3CO, CH3O2, CH3O, singlet CH2, and triplet CH2. All possible reactions are considered. In arriving at recommended values, first preference is given to experimental measurements. Where data do not exist, a best possible estimate is given. In making extrapolations, extensive use is made RRKM calculations for the pressure dependence of unimolecular processes and the BEBO method for hydrogen transfer reactions. In the total absence of data, recourse is made to the principle of detailed balancing, thermokinetic estimates, or comparisons with analogous reactions. The temperature range covered is 300–2500 K and the density range 1×1016–1×1021 molecules/cm3. This data base forms a subset of the chemical kinetic data base for all combustion chemistry processes. Additions and revisions will be issued periodically.
Thermodynamic Properties of Iron and Silicon
Authors: Desai P. D.
Published: June 2010

This work reviews and discusses the data on the various thermodynamic properties of iron and silicon available through March 1984. These include heat capacity, enthalpy, enthalpies of transition and melting, vapor pressure, and enthalpy of vaporization. The recommended values for heat capacity, enthalpy, entropy, and Gibbs energy function cover the temperature range from 1 to 3200 K for iron and 1 to 3600 K for silicon. The recommended values for vapor pressure cover the temperature range from 298.15 to 3200 K for iron and from 298.15 to 3600 K for silicon. These values are referred to temperatures based on the International Practical Temperature Scale of 1968. The energy units used are joules per mol (J mol−1). The uncertainties in the recommended values of the heat capacity range from ±1.5% to ±5%.
Recent Progress in Deuterium Triple-Point Measurements
Authors: Schwalbe L. A.
Published: June 2010

The triple point of deuterium is a proposed reference for defining the temperature scale between 13.81 and 24.562 K. We review recent measurements of this fixed point; our discussion concentrates on experiments with samples confined in transportable sealed cells. We also present theoretical estimates of the dependence of the triple-point temperature on the spin composition of the sample. Satisfactory agreement is obtained with experimental data on deuterium at low concentrations of the para (J=1) species. Present results support the adoption of the triple point of e-D2 as a standard temperature reference.
Recommended Rest Frequencies for Observed Interstellar Molecular Microwave Transitions—1985 Revision
Authors: Lovas F. J.
Published: June 2010

Accurate transition frequencies for the transitions of the molecular species detected in interstellar clouds are presented. These are recommended for reference in future astronomical observations in the radio and microwave regions. The transition frequencies have been selected through critical examination and analysis of the spectroscopic data in the literature. The species identity, quantum number labels, and probable error limits (2σ) are presented for each transition. Representative line antenna temperatures are also given for a typical source as a convenience to users. References are cited to both the astronomical and laboratory literature.
Benzene Thermophysical Properties from 279 to 900 K at Pressures to 1000 Bar
Authors: Goodwin Robert D.
Published: June 2010

The thermodynamic data for benzene have been evaluated and fit to a highly constrained, nonanalytic equation of state. Comparisons of the equation with the selected PVT and derived property data are given. Extensive tables are presented providing tabular values for coexisting liquid and vapor as well as for the single phase along isobars. The equation of state and tables cover the range from the triple point (278.68 K) to 900 K, with pressures to 1000 bar.