bluuebunny/crossref_metadata_2025 huggingface dataset:
Equilibrium and Transport Properties of Eleven Polyatomic Gases At Low Density
Authors: Boushehri A. , Bzowski J. , Kestin J. , Mason E. A.
Published: June 2010

This study presents a computer programmable, thermodynamically consistent representation of the second virial coefficient B, viscosity η, self-diffusion coefficient D, and isotopic thermal diffusion factor α0 of the eleven gases: N2, O2, NO, CO, N2O, CO2, CH4, CF4, SF6, C2H4, and C2H6, all at low density. Limited thermodynamic consistency is achieved by the use of four scaling parameters (σ, ε, V*0, ρ*) in addition to the molecular weight. In terms of these parameters, the collision integrals for the transport properties obey a single law of corresponding states. Furthermore, Ω(2,2)* (T) is the same as that for the universal correlation of the monatomic gases [J. Chem. Phys. Ref. Data 13, 229 (1984)] whereas Ω(1,1)* (T) is only slightly modified. The same parameters nearly correlate the spherical part B0(T)=B(T)−Bns(T) of the second virial coefficient corrected for the most important nonspherical influences; its dimensionless form B*0(T) differs from that for the monatomic gases and also, somewhat, for each of the eleven gases, except that one form suffices for N2, O2, NO, CO. The correlations embrace the reduced temperature range 1<T*<10 with the parameters σ and ε, and the range T*>10 with the parameters V*0 and ρ* derived from high-energy beam experiments. The accuracy achieved is carefully specified, and
The Thermochemistry of Inorganic Solids IV. Enthalpies of Formation of Compounds of the Formula MXaYb
Authors: Hisham Mohamed W. M. , Benson Sidney W.
Published: June 2010

It is found that the standard enthalpies of formation ΔfH○298 of double salts of the type MXaYb are related by a simple additivity relation to ΔfH○298 of their binary salts MXc and MYd. For divalent metals M this relation takes the form, ΔfH○298(MXY) = 1/2  ΔfH○298(MX2)+ 1/2  ΔfH○298(MY2)+C, with C=−13.4 or −17.6 kJ/mol giving equally good fits to the data. From a lesser number of data for trivalent and tetravalent metals M, one finds again a simple additivity relation of the form ΔfH○298(MXaYb) =(ax/z)ΔfH○298(MXz/x) +(by/z)ΔfH○298(MYz/y)+C, where x, y, and z are the formal valences of X, Y, and M, respectively, so that z=ax+by, and C=0. For 16 divalent metal compounds average deviations are 5.5 kJ/mol with a maximum deviation of 10.7 kJ/mol. For eight trivalent metal compounds the average deviations are 13.9 kJ/mol with a maximum of 50.6 kJ/mol. For five tetravalent compounds, the average deviations are 3.5 kJ/mol with a maximum of 6.3 kJ/mol.
Standard Chemical Thermodynamic Properties of Alkanol Isomer Groups
Authors: Alberty Robert A. , Chung Michael B. , Flood Theresa M.
Published: June 2010

The chemical thermodynamic properties of alkanol(ROH) isomer groups from CH4O to C4H10O in the ideal gas phase have been calculated from 298.15 to 1000 K from tables of Stull, Westrum, and Sinke. In the absence of literature data on all isomers of higher isomer groups, the properties of isomers of C5H12O to C8H18O have been estimated using Benson group values. Equilibrium mole fractions within isomer groups have been calculated for the ideal gas state from 298.15 to 1000 K. For isomer group properties increments per carbon atom have been calculated to show the extent to which thermodynamic properties of higher isomer groups may be obtained by linear extrapolation. Values of C○P, S○, ΔfH○, and ΔfG○ are given for all species of alkanols from CH4O to C8H18O in SI units for a standard state pressure of 1 bar.
Evaluated Chemical Kinetic Data for the Reactions of Atomic Oxygen O(3P) with Sulfur Containing Compounds
Authors: Singleton D. L. , Cvetanović R. J.
Published: June 2010

Chemical kinetic data for reactions of O(3P) atoms with sulfur containing compounds are compiled and critically evaluated. Specifically, the reactions considered include the interactions of the ground electronic state of oxygen atoms, O(3P), with S2, SF2, SF5, SOF, S2O, SO, SO2, SO3, SH, H2S, D2S, H2SO4, CS, CS2, COS, CH3SH, C2H5SH, C4H9SH, C5H11SH, CH3SCH3, cy-CH2SCH2, cy-CHCHSCHCH, CH3SSCH3, SCF2, SCCl2, and cy-CF2SCF2S. With one exception, the liquid phase reaction O(3P)+H2SO4→products, all the data considered were for gas phase reactions. Where possible, ‘‘Recommended’’ values of the rate parameters have been assessed and conservative uncertainty limits assigned to them.
Energy Levels of Molybdenum, Mo I through Mo XLII
Authors: Sugar Jack , Musgrove Arlene
Published: June 2010

The energy levels of the molybdenum atom, in all stages of ionization for which experimental data are available, have been compiled. Ionization energies, either experimental or theoretical, and experimental g-factors are given. Leading components of calculated eigenvectors are listed.
Standard Chemical Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons and Their Isomer Groups I. Benzene Series
Authors: Alberty Robert A. , Reif Andrea K.
Published: June 2010

The polycyclic aromatic hydrocarbons can be organized into an infinite number of series in each of which successive isomer groups differ by C4H2. The first series starts with benzene, and chemical thermodynamic tables are presented here for C6H6, C10H8, C14H10, C18H12, C22H14, and C26H16 in the ideal gas phase. Since chemical thermodynamic properties are known for only several polycyclic aromatic hydrocarbons, the properties of individual species have been estimated using Benson group values of Stein and Fahr for temperatures from 298.15 to 3000 K. Values of C○P, S°, ΔfH°, and ΔfG° have been calculated in joules for a standard state pressure of 1 bar. The chemical thermodynamic properties of the isomer groups have also been calculated. This provides a basis for extrapolating to higher carbon numbers where it is not feasible to consider individual molecular species.
Evaluation of Data on Solubility of Simple Apolar Gases in Light and Heavy Water at High Temperature
Authors: Prini Roberto Fernández , Crovetto Rosa
Published: June 2010

The solubility data of apolar gases in light and heavy water over the temperature range covered experimentally have been evaluated, laying particular emphasis to the region above the normal boiling points of the solvents. The systems that have been included in this work are the inert gases and CH4 in light water and heavy water, H2, O2, N2, and C2H6 in light water and D2 in heavy water. Data in the original sources have been brought to the same footing by calculating from the raw experimental data P, T, and x when they were not reported by the author. This step is considered necessary to assess critically the available sets of data. The temperature dependence of Henry’s constants for all the binary systems have been expressed in terms of two different polynomial equations. The formulations presented are discussed and the limits of application given.
A Fundamental Equation for Water Covering the Range from the Melting Line to 1273 K at Pressures up to 25 000 MPa
Authors: Saul A. , Wagner W.
Published: June 2010

In order to represent the thermodynamic properties of water (H2O) over an extremely large range of temperature and pressure that is not covered by existing equations of state, a new fundamental equation has been developed. The Helmholtz function was fitted to the following kinds of experimental data: (a) pρT data, (b) thermal properties of the saturation curve (ps,ρ′,ρ″), (c) speed of sound w, (d) isobaric heat capacity cp, (e) isochoric heat capacity cv, (f) differences of the internal energy u, (g) differences of the enthalpy h, (h) Joule–Thomson coefficient μ, and (i) the isothermal throttling coefficient δT. A new statistical selection method was used to determine the final form of the equation from a ‘‘bank’’ of 630 terms which also contained functional forms that have not been previously used. This 58-coefficient equation covers the entire fluid region from the melting line to 1273 K at pressures up to 25 000 MPa, and represents the data within their experimental accuracy also in the ‘‘difficult’’ regions below 0 °C, on the entire saturation curve, in the critical region and at very high pressures. The equation was constrained at the critical point as defined by the parameters internationally recommended by the International Association for the Properties of Steam (IAPS). Besides the 58-coefficient equation for the entire pressure range, a 38-coefficient equation is presented for providing a ‘‘fast’’ equation for practical and scientific calculations in the pressure range below 1000 MPa. This equation has, with the exception of the critical region, nearly the same accuracy as the 58-coefficient equation. The quality of the new equations will be illustrated by comparing the values calculated from them with selected experimental data and with the IAPS-84 formulation and the Scaling-Law equation.
Photoemission Cross Sections for Atomic Transitions in the Extreme Ultraviolet due to Electron Collisions with Atoms and Molecules
Authors: van der Burgt P. J. M. , Westerveld W. B. , Risley J. S.
Published: June 2010

This article reviews experimental photoemission cross sections in the extreme ultraviolet, for transitions in excited atoms and atomic ions formed in electron collisions with atoms and molecules. A survey of the available experimental data for each investigated target gas reveals severe inconsistencies between cross sections reported by different laboratories. As almost all reported cross sections are based on relative measurements, a detailed discussion is given of the methods used for normalization of the cross sections.
Cross Sections and Related Data for Electron Collisions with Hydrogen Molecules and Molecular Ions
Authors: Tawara H. , Itikawa Y. , Nishimura H. , Yoshino M.
Published: June 2010

Data are compiled and evaluated for collision processes of excitation, dissociation, ionization, attachment, and recombination of hydrogen molecules and molecular ions (H+2, H+3) by electron impact as well as for properties of their collision products.
The Thermal Conductivity of Methane and Tetrafluoromethane in the Limit of Zero Density
Authors: Assel M. J. , Millat J. , Vesovic V. , Wakeham W. A.
Published: June 2010

The paper presents accurate representation of the thermal conductivity of methane and tetrafluoromethane in the limit of zero density. The theoretically-based correlations provided are valid for the temperature range 120–1000 K and 280–750 K for methane and tetrafluoromethane respectively. The methane correlations has associated uncertainties of ±2% between 300 and 500 K, rising to ±2.5% at the low, and ±4% at the high, temperature extremes. The tetrafluoromethane correlation has uncertainties of 1% between 280 K and 450 K, rising to ±5% at the highest temperature. A comparison with some earlier correlations is given. The paper also includes an improved correlation for the temperature dependence of the zero-density viscosity of tetrafluoromethane.
Equilibrium and Transport Properties of Gas Mixtures at Low Density: Eleven Polyatomic Gases and Five Noble Gases
Authors: Bzowski J. , Kestin J. , Mason E. A. , Uribe F. J.
Published: June 2010

This paper uses results from statistical-mechanical theory, applied through a combination of an extended principle of corresponding states with some knowledge of intermolecular potentials, to the calculation of the transport and equilibrium properties of gas mixtures at low density. The gases involved are: N2, O2, NO, CO, CO2, N2O, CH4, CF4, SF6, C2H4, C2H6, and He, Ar, Ne, Kr, Xe. The properties included are: second virial coefficient, viscosity, diffusion, and thermal diffusion, but not thermal conductivity. The calculations are internally, thermodynamically consistent and the resulting algorithms, which are fully programmable, operate in an entirely predictive mode by means of validated combination rules. This paper is a sequel to one on the five noble gases and all their possible mixtures and a second on the above eleven polyatomic gases. The paper contains ten tables (mainly intended for the checking of computer codes) and 201 graphs of deviation and comparison plots. An additional 98 tables have been deposited with the Physics Auxiliary Publication Service (PAPS) of the AIP. The algorithms presented in this paper, together with those mentioned above, make it possible to program calculations for a wide range of low-density equilibrium and transport properties of 16 gases and of all possible multicomponent mixtures formed with them, for a total of 65,535 systems. For each system, the program would cover the full range of compositions.
Updated Excitation and Ionization Cross Sections for Electron Impact on Atomic Oxygen
Authors: Laher Russ R. , Gilmore Forrest R.
Published: June 2010

Cross sections for the excitation and ionization of atomic oxygen by electron impact are presented as the result of a critical review of experimental and theoretical work on this subject. An effort has been made to compile the most accurate and complete set of cross sections available. More than 60 profiles of excitation cross section versus electron-impact energy are presented. These include transitions to the forbidden metastable O(2p4 1D) and O(2p4 1S) states, the allowed autoionizing O(2p5 3P o) state, nine allowed Rydberg series, and twenty-nine forbidden Rydberg series. Recommended ionization cross sections for transitions to the outer-electron ionization states O+(4S o), O+(2Do), O+(2Po), to the inner-electron ionization state O+(4P), and to the O2+ state are also given. Many of these excitation and ionization cross sections are based on recently published laboratory measurements, and differ from previously accepted values by factors of ∼2–3, and in a few cases by up to a factor of 10. The data presented in this report will be useful in calculations of aeronomical and artificially-induced electron impact on atomic oxygen, an important component of the upper atmosphere.
Chemical Kinetic Data Base for Combustion Chemistry Part 4. Isobutane
Authors: Tsang Wing
Published: June 2010

This publication contains evaluated and estimated data on the kinetics of reactions involving isobutane, t-butyl radical and isobutyl radical and various small inorganic and organic species which are of importance for the proper understanding of isobutane combustion and pyrolysis. It is meant to be used in conjunction with the kinetic data given in earlier publications, which is of direct pertinence to the understanding of methane, ethane, methanol and propane pyrolysis and combustion, but which also contains a large volume of data that are applicable to the isobutane system. The temperature range covered is 300–2500 K and the density range 1×1016 to 1×1021 molecules cm−3.
The Thermodynamics of the Krebs Cycle and Related Compounds
Authors: Miller Stanley L. , Smith-Magowan David
Published: June 2010

A survey is made of the enthalpies of formation, third law entropies and Gibbs energies available for Krebs cycle and related compounds. These include formate, acetate, succinate, fumarate, glycine, alanine, aspartate and glutamate. The potential of the NAD+/NADH couple is recalculated based on the ethanol/acetaldehyde and isopropanol/acetone equilibria. The reported enzyme catalyzed equilibrium constants of the Krebs cycle reactions are evaluated with estimated errors. These 28 equilibria form a network of reactions that is solved by a least squares regression procedure giving Gibbs energies of formation for 21 Krebs cycle and related compounds. They appear to be accurate to ±0.4 kJ⋅mol−1 for some compounds but ±1 kJ⋅mol−1 in less favorable cases. This procedure indicates which third law ΔfG and enzyme equilibria are inaccurate, and allows very accurate ΔfG to be determined for compounds related to the Krebs cycle by measuring enzyme equilibrium constants.
Wavelengths and Energy Level Classifications of Magnesium Spectra for All Stages of Ionization (Mg I through Mg XII)
Authors: Kaufman V. , Martin W. C.
Published: June 2010

Wavelengths and their classifications are compiled for the spectra of magnesium. Selections of data are based on the critical evaluations in the compilation of energy levels by Martin and Zalubas [1980, J. Phys. Chem. Ref. Data 9, 1–58], with some updating from the more recent literature. All classifications have been verified with predictions made by differencing the energy levels. In addition to the spectra ordered by ionization state, two finding lists are included, one containing Mg I to Mg III and the other Mg IV to Mg XII.
Heat capacity and other thermodynamic properties of linear macromolecules X. Update of the ATHAS 1980 Data Bank
Authors: Varma-Nair Manika , Wunderlich Bernhard
Published: June 2010

The prior published ATHAS 1980 Data Bank of experimental heat capacities of linear macromolecules that included critically reviewed material on almost 100 polymers is updated. In addition, the data bank has been computerized so that future updates can be made continuously, and new print-outs or computer files will be available from the authors from, 1990 on.
Spectral Data and Grotrian Diagrams for Highly Ionized Copper, Cu X-Cu XXIX
Authors: Shirai Toshizo , Nakagaki Toshiaki , Nakai Yohta , Sugar Jack , Ishii Keishi , Mori Kazuo
Published: June 2010

Wavelengths, energy levels, level classifications, intensities, and transition probabilities for the copper spectra Cu X to Cu XXIX are compiled. The data are critically evaluated and the best results, in the author’s judgment, are quoted. A short review of the work on each stage of ionization is included. Grotrian diagrams are also presented to provide graphical overviews. The literature has been surveyed to March 1990.
Ab-Initio Calculations and Ideal Gas Thermodynamic Functions of Cyclopentadiene and Cyclopentadiene Derivatives
Authors: Karni Miriam , Oref Izhack , Burcat Alexander
Published: June 2010

Structures, frequencies and energies, ideal gas thermodynamic properties and values, have been calculated for cyclopentadiene, cyclopentadienols, and a number of radicals derived from them. The necessary molecular information for these calculaions was found by ab-initio molecular orbital calculations. The gometries, vibrational frequencies and moments of inertia of 8 species are reported. In order to estimate the accuracy of the computations the molecular parameters were compared with known values reported in the literature whenever those were available.
Improved Fits for the Vibrational and Rotational Constants of Many States of Nitrogen and Oxygen
Authors: Laher Russ R. , Gilmore Forrest R.
Published: June 2010

All pertinent measurements of the vibrational intervals ΔG(v+ 1/2 ) and rotational constants Bv for 11 states of N2, four states of N+2, the ground state of O2, and four states of O+2 that could be found in published papers have been assembled and plotted against v. (These are the states important in modeling the fluorescence produced when air is bombarded by fast electrons.) These values of ΔG and Bv are compared with values calculated from the standard polynomials in powers of v+ 1/2 , using the coefficients tabulated by Huber and Herzberg (1979), as well as coefficients derived by later analysts, when available. In about 25 percent of the states considered, the coefficients of Huber and Herzberg are found to still yield good fits to the latest available spectroscopic data. In another 25 percent, good fits are obtained from more recently published coefficients. For the remaining 50 percent of the states, new improved coefficients have been derived by least-squares fitting. The results are tabulated and plotted.
Isotopic Compositions of the Elements 1989
Authors: De Laeter J. R. , Heumann K. G. , Rosman K. J. R.
Published: June 2010

The Subcommittee for Isotopic Abundance Measurements (SIAM) of the IUPAC Commission on Atomic Weights and Isotopic Abundances has carried out its biennial review of isotopic compositions, as determined by mass spectrometry and other relevant methods. The Subcommittee’s critical evaluation of the published literature element by element forms the basis of the Table of Isotopic Compositions of the Elements as Determined by Mass Spectrometry 1989, which is presented in this Report. Atomic Weights calculated from the tabulated isotopic abundances are consistent with Ar(E) values listed in the Table of Standard Atomic Weights 1989.
Spectral Data and Grotrian Diagrams for Highly Ionized Vanadium, V VI through V XXIII
Authors: Shirai Toshizo , Nakagaki Toshiaki , Sugar Jack , Wiese Wolfgang L.
Published: June 2010

Wavelengths, energy levels, level designations, oscillator strengths, and atomic transition probabilities for the vanadium ions V VI to V XXIII are tabulated. A short review of the line identifications and wavelength measurements is given for each stage of ionization. Grotrian diagrams are also presented to provide graphical overviews. The literature has been surveyed to September 1991.
Critical Compilation of Surface Structures Determined by Surface Extended X-Ray Absorption Fine Structure (SEXAFS) and Surface Extended Electron Energy Loss Spectroscopy (SEELFS)
Authors: Watson Philip R.
Published: June 2010

This review critically compiles all surface structures derived by the technique of surface extended x-ray absorption fine-structure spectroscopy (SEXAFS) and surface electron energy loss fine-structure spectroscopy (SEELFS) reported in the refereed literature prior to January 1990. They are compared with the extensive low-energy electron diffraction (LEED) [P. R. Watson, J. Phys. Chem. Ref. Data 16, 953 (1987)] and ion scattering databases [P. R. Watson, J. Phys. Chem. Ref. Data 19, 85 (1990)] previously reported. The important experimental and theoretical aspects of such investigations have been extracted into easily understood tabular form supplemented by many figures and ancillary tables and complete references. It is hoped that this compilation will provide a valuable resource both for the surface science specialist and for those nonspecialists in other areas who need surface crystallographic data.
Vibrational Bands of HxNyOz Molecules
Authors: Mélen F. , Herman M.
Published: June 2010

A compilation of experimental data is presented which covers all known molecular species fitting the 1Hx14Ny16Oz ( y,z≠0) chemical formula. The vibrational bands of these compounds in gas, liquid, solid, and matrix are listed together with their assignments and the relevant references. Most of the literature before October 1991 is covered.
Spectral Data and Grotrian Diagrams for Highly Ionized Cobalt, Co VIII through Co XXVII
Authors: Shirai Toshizo , Mengoni Alberto , Nakai Yohta , Sugar Jack , Wiese Wolfgang L. , Mori Kazuo , Sakai H.
Published: June 2010

Wavelengths, energy levels, level classifications, oscillator strengths, and atomic transition probabilities for the cobalt ions Co VIII to Co XXVII are tabulated. A short review is given for the wavelength measurements on each stage of ionization. Grotrian diagrams are also presented to provide graphical overviews. The literature has been surveyed to March 1990.
A Critical Compilation of Atomic Transition Probabilities for Singly Ionized Argon
Authors: Vujnović V. , Wiese Wolfgang L.
Published: June 2010

We have critically compiled the atomic transition probabilities of Ar ii lines by combining recent high-accuracy lifetime data with branching-ratio emission measurements. We present several comparisons of the various literature data, including theoretical results, and we discuss our assessment procedure in detail. On the basis of this procedure, we present an extension list of critically evaluated transition probabilities with uncertainty estimates.
Spectral Data and Grotrian Diagrams for Highly Ionized Chromium, Cr v through Cr XXIV
Authors: Shirai Toshizo , Nakai Yohta , Nakagaki Toshiaki , Sugar Jack , Wiese Wolfgang L.
Published: June 2010

Wavelengths, energy levels, ionization energies, line classifications, oscillator strengths, and atomic transition probabilities for Cr v to Cr XXIV are tabulated. A short review of the line identifications and wavelength measurements is given for each stage of ionization. Grotrian diagrams are given to provide graphical overviews. The literature has been surveyed through December 1991. §
An Assessment of the Reliability of Atomic Weight Data Based on Successive Evaluations Between 1967 and 1993
Authors: De Bièvre P. , Ku H. H. , Peiser H. S.
Published: June 2010

The reliability of the (standard) atomic-weight (mean atomic mass) values is quantified based on the analysis of changes made from published improved measurements as they become available for each periodic evaluation. This numerical analysis tests the evaluation procedures and the current reliability of the tables published by the International Union of Pure and Applied Chemistry. One instance of faulty evaluation is highlighted. The post facto test of past performance of evaluations might under appropriate conditions also serve for other data sets such as the fundamental constants of physics or property data for pure elements. §
International Equations for the Pressure Along the Melting and Along the Sublimation Curve of Ordinary Water Substance
Authors: Wagner Wolfgang , Saul A. , Pruss A.
Published: June 2010

In order to define the phase boundary between the solid phase (ice) and the fluid phase (liquid and gas) of ordinary (light) water substance in pressure-temperature coordinates, correlation equations for the pressure along the melting curve of the various modifications of ice as well as for the pressure along the sublimation curve are presented. The five equations for the melting pressure of the ice phases, ice I, ice III, ice V, ice VI, and ice VII, which only contain one to three fitted coefficients, cover the pressure range from the ‘‘normal’’ triple point to 20000 MPa. In this entire range the equations represent the selected measurements of the melting pressure within their experimental uncertainty. The 2-coefficient equation for the sublimation pressure covers the temperature range from 190 K to the triple point (273.16 K). The equations correspond to the new International Temperature Scale of 1990 (ITS-90). All these equations form the basis of the revised release on the pressure along the melting and sublimation curves of ordinary water substance. A verbatium copy of this release is presented in the Appendix of this paper. §
A Review, Bibliography, and Tabulation of K, L, and Higher Atomic Shell X-Ray Fluorescence Yields
Authors: Hubbell J. H. , Trehan P. N. , Singh Nirmal , Chand B. , Mehta D. , Garg M. L. , Garg R. R. , Singh Surinder , Puri S.
Published: June 2010

The K, L, and higher atomic shell x-ray fluorescence yield measured data, covering the period 1978 to 1993, following the major previous compilations by Bambynek et al. (1972) and Krause (1979), are reviewed. An annotated bibliography of x-ray fluorescence yield measurements, analyses, fits and tables 1978–1993 is presented. Comparisons of the fluorescence yields ωk, ω̄L, and ω̄M, based on measurements, and on theoretical models, are presented. Values of ωK, ω̄L, and ω̄M, fitted to standard empirical parametric formulations, are presented. In addition, selected well-characterized measured ωK, ω̄L, and ω̄M results restricted to the period 1978–1993 are listed. These selected measured values are fitted by least squares to polynomials in Z of the form ∑nanZn and compared with theoretical and with earlier fitted values. A section on application of fluorescence yield data to computations of x-ray energy-absorption coefficients is included.
Phase Diagrams and Thermodynamic Properties of Binary Organic Systems Based on 1,2-, 1,3-, 1,4-Diaminobenzene or Benzidine
Authors: Sangster James
Published: June 2010

The phase diagram data of 47 binary organic systems were critically evaluated with the aid of a computer-coupled thermodynamic/phase diagram analysis. The systems are based upon the three isomeric diaminobenzenes or benzidine, and the second components are compounds such as phenol and substituted phenols, polyhydroxybenzenes, benzoic acid, etc. The results of such an analysis of phase diagram data include the excess Gibbs energies of the liquid phases as well as the Gibbs energies of fusion and formation of intermediate compounds. These quantities were used to calculate a 〈〈best〉〉 phase diagram for each system. Such phase diagrams conform to necessary thermodynamic constraints and follow from stated evaluative criteria of experimental data.
Microwave Spectra of Molecules of Astrophysical Interest. XXIII. Acetaldehyde
Authors: Kleiner I. , Lovas F. J. , Godefroid M.
Published: June 2010

The microwave spectrum of acetaldehyde is critically reviewed and supplemented with spectral frequency calculations derived from the rotation-internal rotation analysis. A simultaneous analysis of the torsional ground state, vt=0, and first and second torsionally excited states, vt=1 and 2, was carried out. The primary objective of this review is to provide radio astronomers with complete spectral coverage over the range of 900 MHz to 500 GHz for the ground state and covering rotational quantum number, J, from 0 to 26.
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III
Authors: Domalski Eugene S. , Hearing Elizabeth D.
Published: June 2010

This compilation of data on the and of in the condensed phase is a cumulative document and includes the following earlier published work on this subject: ‘‘Heat Capacities and of in the Condensed Phase,’’ E. S. Domalski, W. H. Evans, and E. D. J. Phys. Chem. Ref. Data 13, Suppl. 1 (1984) and ‘‘Heat Capacities and of in the Condensed Phase, Volume II,’’ E.S. Domalski and E.D. J. Phys. Chem. Ref. Data 19, 881–1047 (1990). In addition, the literature through 1993 has been searched and the pertinent data reported has been included in Volume III. The latter volume provides data on 5332 individual entries for 2503 discrete for which over 2200 articles have been examined, evaluated, and referenced. In addition to values for the and at 298.15 K, for solid/solid, solid/liquid, and in some instances, solid/gas and liquid/gas are tabulated as encountered in the articles examined and evaluated.
NIST–JANAF Thermochemical Tables for the Bromine Oxides
Authors: Chase M. W.
Published: June 2010

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. Sufficient information is not available to generate thermochemical tables for any condensed phase species. Annotated bibliographies (over 280 references) are provided for all neutral bromine oxides which have been reported in the literature. There are needs for additional experimental and theoretical data to reduce the uncertainties in the recommended values for these six species. Of all the species mentioned in the literature, many have not been isolated and characterized. In fact some do not exist. Throughout this paper, uncertainties attached to recommended values correspond to the uncertainty interval, equal to twice the standard deviation of the mean.
Thermodynamic Properties of Alkali Metal Hydroxides. Part II. Potassium, Rubidium, and Cesium Hydroxides
Authors: Gurvich L. V. , Bergman G. A. , Gorokhov L. N. , Iorish V. S. , Leonidov V. Ya. , Yungman V. S.
Published: June 2010

The data on thermodynamic and molecular properties of the potassium, rubidium and cesium hydroxides have been collected, critically reviewed, analyzed, and evaluated. Tables of the thermodynamic properties [Cp∘, Φ°=−(G°−H°(0)/T, S°, H°−H°(0), ΔfH°, ΔfG°)] of these hydroxides in the condensed and gaseous states have been calculated using the results of the analysis and some estimated values. The recommendations are compared with earlier evaluations given in the JANAF Thermochemical Tables and Thermodynamic Properties of Individual Substances. The properties considered are: the temperature and enthalpy of phase transitions and fusion, heat capacities, spectroscopic data, structures, bond energies, and enthalpies of formation at 298.15 K. The thermodynamic functions in solid, liquid, and gaseous states are calculated from T=0 to 2000 K for substances in condensed phase and up to 6000 K for gases.
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
Authors: Tillner-Roth Reiner , Yokozeki Akimichi
Published: June 2010

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,ϱ,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. The Helmholtz free energy equation of state has 19 coefficients and represents all selected experimental data within their estimated accuracy with the exception for heat capacities and speed of sound in the region close to the critical point. Typical uncertainties are ±0.05% for density, ±0.02% for the vapor pressure and ±0.5%–1% for the heat capacity. 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.
Phase Diagrams and Thermodynamic Properties of Binary and Ternary Systems Based on Nitroaromatic Compounds
Authors: Sangster James
Published: June 2010

The phase diagram data of 226 binary organic systems based on nitroaromatic compounds were critically evaluated with the aid of a computer-coupled thermodynamic/phase diagram analysis. The results of this analysis include the excess Gibbs energies of all solution phases as well as the Gibbs energies of fusion and formation of intermediate compounds. These quantities were used to calculate a best phase diagram for each system. 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 experimental diagrams.
An International Standard Equation of State for the Thermodynamic Properties of HFC-125 (Pentafluoroethane)
Authors: Piao Chun-Cheng , Noguchi Masahiro
Published: June 2010

An 18-coefficient modified Benedict–Webb–Rubin equation of state for HFC-125 (pentafluoroethane) has been developed. Correlations of vapor pressure and saturated liquid density are also presented. This equation of state has been developed using experimental data for the relationship of pressure-volume-temperature of fluid, saturation properties, isochoric heat capacity data, and speed of sound data. 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/m3, 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.
Thermodynamic Properties of Import to Environmental Processes and Remediation. I. Previous Thermodynamic Property Values for Cadmium and Some of Its Compounds
Authors: Archer Donald G.
Published: June 2010

The sources of previous thermodynamic property values are detailed for cadmium and some compounds of cadmium that might be expected as derivative from anthropogenic introduction of cadmium into the environment or are required for calculation of thermodynamic properties of cadmium-containing systems. 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.
Networks of Waste: Informal Economic Systems and Sustainability in Bali, Indonesia
Authors: Bruce Amelia , Storey Donovan
Published: June 2010

This article examines solid waste management in Badung Regency, Bali. It argues that current conventional centralised and decentralised solid waste management approaches are not proving effective and fail to cater to the needs of the majority of the population, particularly poorer communities. In contrast, it was found that informal waste networks achieved higher standards of economic efficiency, service coverage and resource recovery, contributing both to environmental protection and livelihoods. Much can be learned by planners in developing nations from these ‘networks of waste’, and in building upon the economic and environmental principles and behaviour around which informal waste networks function.
Land-based Economic Clusters and their Sustainability: The Case of the Horseracing Industry
Authors: Parker Gavin , Beedell Jason
Published: June 2010

This paper demonstrates how a traditional land-based cluster provides significant economic and environmental benefits to a local economy and for a protected landscape. The focus is the group of businesses that have clustered around the North Wessex Downs (NWD) in Southern England and which are engaged in activities supporting the horseracing industry (HRI). A review of the literature on competitiveness and economic clusters is provided and indicates the need for more attention to be paid to the sustainability credentials of such industry clusters. This should form part of the wider discussion about economic development and agglomeration economies, as well as in developing so-called ‘underachieving’ clusters. The paper contends that there is a clear need to better understand traditional land-based clusters and an opportunity to maximise economic and other benefits.
Impact of a Chest Support on Lower Back Muscles Activity During Forward Bending
Authors: Albayrak Armaĝan , Goossens Richard H. M. , Snijders Chris J. , de Ridder Huib , Kazemier Geert
Published: June 2010

The present study is based on previous research on the poor body posture of surgeons and their experienced discomfort during surgical procedures. Since surgeons have head‐bent and back‐bent posture during open surgical procedures, a chest support is a viable supporting principle. This support is meant to reduce lower back pain by minimising lower back muscle activity. The aim of this study is to investigate the impact of a chest support on lower back muscle activity during forward bending and to establish a possible relation between supporting force and the kind of balancing strategy a person adopts. Use of the chest support shows a significant reduction of muscle activity in the lower back and leg muscles. Within the participants three user groups are identified as “sceptical users”, “non‐trusters” and “fully trusters”, each following a different balancing strategy. Since there are different kinds of users, the designed body support should offer the possibility for altering the posture and should not constrain the user to take a certain body posture.
Biology‐Inspired Robust Dive Plane Control of Non‐Linear AUV Using Pectoral‐Like Fins
Authors: Ramasamy Subramanian , Singh Sahjendra N.
Published: June 2010

The development of a control system for the dive plane control of non‐linear biorobotic autonomous underwater vehicles, equipped with pectoral‐like fins, is the subject of this paper. Marine animals use pectoral fins for swimming smoothly. The fins are assumed to be oscillating with a combined pitch and heave motion and therefore produce unsteady control forces. The objective is to control the depth of the vehicle. The mean angle of pitch motion of the fin is used as a control variable. A computational‐fluid‐dynamics‐based parameterisation of the fin forces is used for control system design. A robust servo regulator for the control of the depth of the vehicle, based on the non‐linear internal model principle, is derived. For the control law derivation, an exosystem of third order is introduced, and the non‐linear time‐varying biorobotic autonomous underwater vehicle model, including the fin forces, is represented as a non‐linear autonomous system in an extended state space. The control system includes the internal model of a k‐fold exosystem, where k is a positive integer chosen by the designer. It is shown that in the closed‐loop system, all the harmonic components of order up to k of the tracking error are suppressed. Simulation results are presented which show that the servo regulator accomplishes accurate depth control despite uncertainties in the model parameters.
Choosing Optimal Causal Backgrounds for Causal Discovery
Authors: Barberia Itxaso , Baetu Irina , Sansa Joan , Baker Andy G.
Published: June 2010

In two experiments, we studied the strategies that people use to discover causal relationships. According to inferential approaches to causal discovery, if people attempt to discover the power of a cause, then they should naturally select the most informative and unambiguous context. For generative causes this would be a context with a low base rate of effects generated by other causes and for preventive causes a context with a high base rate. In the following experiments, we used probabilistic and/or deterministic target causes and contexts. In each experiment, participants observed several contexts in which the effect occurred with different probabilities. After this training, the participants were presented with different target causes whose causal status was unknown. In order to discover the influence of each cause, participants were allowed, on each trial, to choose the context in which the cause would be tested. As expected by inferential theories, the participants preferred to test generative causes in low base rate contexts and preventative causes in high base rate contexts. The participants, however, persisted in choosing the less informative contexts on a substantial minority of trials long after they had discovered the power of the cause. We discuss the matching law from operant conditioning as an alternative explanation of the findings.
Evidence for a Role of the Responding Agent in the Joint Compatibility Effect
Authors: Philipp Andrea M. , Prinz Wolfgang
Published: June 2010

The present study explored the role of the responding agent in a social context. To do so, we developed a compatibility task with socially relevant but task-irrelevant stimuli (own face, neutral face, and a friend's face). Participants were required to perform naming responses to coloured diamonds, while the faces were presented as irrelevant stimuli. We observed faster responses in face–name compatible than in incompatible conditions. When the task was distributed among two friends, we observed a compatibility effect in a joint go/no-go condition, in which both participants performed their go/no-go tasks together. In contrast, no compatibility effect was obtained in an individual go/no-go condition. Further, the experiment showed that this joint compatibility effect was based on the compatibility between the irrelevant face and the responding agent. This result demonstrates that features of the responding agent play a crucial role in the joint compatibility effect.
Long-Term Control of Endemic Hospital-Wide Methicillin-ResistantStaphylococcus aureus(MRSA): The Impact of Targeted Active Surveillance for MRSA in Patients and Healthcare Workers
Authors: Jesús Rodríguez-Baño Jesus , García Lola , Ramírez Encarnación , Lupión Carmen , Muniain Miguel A. , Velasco Carmen , Gálvez Juan , del Toro M. Dolores , Millán Antonio B. , López-Cerero Lorena , Pascual Alvaro
Published: June 2010

Objective.

To evaluate the long-term impact of successive interventions on rates of methicillin-resistantStaphylococcus aureus(MRSA) colonization or infection and MRSA bacteremia in an endemic hospital-wide situation.

Design.

Quasi-experimental, interrupted time-series analysis. The impact of the interventions was analyzed by use of segmented regression. Representative MRSA isolates were typed by use of pulsed-field gel electrophoresis.

Setting.

A 950-bed teaching hospital in Seville, Spain.

Patients.

All patients admitted to the hospital during the period from 1995 through 2008.

Methods.

Three successive interventions were studied: (1) contact precautions, with no active surveillance for MRSA; (2) targeted active surveillance for MRSA in patients and healthcare workers in specific wards, prioritized according to clinical epidemiology data; and (3) targeted active surveillance for MRSA in patients admitted from other medical centers.

Results.

Neither the preintervention rate of MRSA colonization or infection (0.56 cases per 1,000 patient-days [95% confidence interval {CI}, 0.49-0.62 cases per 1,000 patient-days]) nor the slope for the rate of MRSA colonization or infection changed significantly after the first intervention. The rate decreased significantly to 0.28 cases per 1,000 patient-days (95% CI, 0.17-0.40 cases per 1,000 patient-days) after the second intervention and to 0.07 cases per 1,000 patient-days (95% CI, 0.06-0.08 cases per 1,000 patient-days) after the third intervention, and the rate remained at a similar level for 8 years. The MRSA bacteremia rate decreased by 80%, whereas the rate of bacteremia due to methicillin-susceptibleS. aureusdid not change. Eighty-three percent of the MRSA isolates identified were clonally related. All MRSA isolates obtained from healthcare workers were clonally related to those recovered from patients who were in their care.

Conclusion.

Our data indicate that long-term control of endemic MRSA is feasible in tertiary care centers. The use of targeted active surveillance for MRSA in patients and healthcare workers in specific wards (identified by means of analysis of clinical epidemiology data) and the use of decolonization were key to the success of the program.
A way to enhance the magnetic moment of multiferroic bismuth ferrite
Authors: Cheng Z X , Wang X L , Du Y , Dou S X
Published: June 2010

Transition metals, including Co, Cr, Ni and Mn, were doped into multiferroic Bi0.8La0.2Nb0.01Fe0.99O3 samples that were fabricated by a solid state reaction. X-ray diffraction results show that only the Mn-doped sample did not contain any impurity phases, while the other transition metal dopants destroyed the phase stability of the pure Bi0.8La0.2Nb0.01Fe0.99O3 phase and caused the formation of second phases. All the transition metal doped Bi0.8La0.2Nb0.01Fe0.99O3 samples show significant enhancement in their magnetic moment at room temperature in comparison with the BiFeO3 and Bi0.8La0.2Nb0.01Fe0.99O3 samples without transition metal doping. This is explained by the formation of local ferrimagnetic ordering or ferromagnetic ordering in the transition metal doped Bi0.8La0.2Nb0.01Fe0.99O3, according to the electron configurations of the dopant transition metal ions.
Nonlocal impact ionization and avalanche multiplication
Authors: Rees G J , David J P R
Published: June 2010

Impact ionization and avalanche multiplication are conventionally described in terms of ionization coefficients which depend only upon the local electric field. Such a description takes no account of the effect of ionization dead space, within which the population distribution, and hence the ionization coefficient of carriers injected cool approach equilibrium with the high electric field, inhibiting ionization and reducing multiplication. This effect, which increases in importance as device dimensions are reduced, clearly benefits such high field devices as transistors by suppressing parasitic avalanche multiplication. It also improves the performance of avalanche photodiodes (APDs) by reducing the spatial randomness of impact ionization, so that the resulting excess multiplication noise is also reduced. It reduces temperature sensitivity and may also further enhance APD speed. This paper reviews these effects and some theoretical models used to describe them.

In memory of Peter Robson, who inspired and encouraged scientists and engineers, young and old.