scispace - formally typeset
Search or ask a question

Showing papers in "Journal of Physical and Chemical Reference Data in 1987"


Journal ArticleDOI
TL;DR: In this article, a table of thermodynamic and transport properties of butane, including pressure, density, temperature, internal energy, enthalpy, entropy, specific heat at constant pressure and at constant volume, sound speed, viscosity, thermal conductivity, and dielectric constant.
Abstract: Tables of methane, ethane, propane, isobutane, and normal butane thermodynamic and transport properties are presented. The mathematical relations from which these thermophysical properties are obtained are described. The tables list pressure, density, temperature, internal energy, enthalpy, entropy, specific heat at constant pressure and at constant volume, sound speed, viscosity, thermal conductivity, and dielectric constant.

652 citations


Journal ArticleDOI
TL;DR: In this paper, the authors evaluated and estimated data on the kinetics of reactions involving methanol and hydroxymethyl radicals and various small inorganic and organic species which are of importance for the proper understanding of methanoline combustion and pyrolysis.
Abstract: This publication contains evaluated and estimated data on the kinetics of reactions involving methanol and hydroxymethyl radicals and various small inorganic and organic species which are of importance for the proper understanding of methanol combustion and pyrolysis. It is meant to be used in conjunction with the kinetic data given in an earlier publication pertaining to methane pyrolysis and combustion, but which also contains a large volume of data that are applicable to the methanol system. The temperature range covered is 300–2500 K and the density range 1×1016 to 1×1021 molecules cm−3.

409 citations


Journal ArticleDOI
TL;DR: In this paper, the saturation properties on the saturation line of ordinary (light) water substances were studied. And the authors developed compact and accurate representative equations for the following properties: vapor pressure, density, enthalpy and entropy of both the saturated liquid and the saturated vapor.
Abstract: Consistent with the latest experimental data and the recent internationally recommended values for the critical parameters, we have developed compact and accurate representative equations for the following properties on the saturation line of ordinary (light) water substance: vapor pressure, density, enthalpy and entropy of both the saturated liquid and the saturated vapor. These equations form the basis of a ‘‘Supplementary Release on Saturation Properties of Ordinary Water Substance’’ issued by the International Association for the Properties of Steam (IAPS).

403 citations


Journal ArticleDOI
TL;DR: In this paper, the enthalpies of gas phase compounds containing sulfur, fluorine, oxygen, and hydrogen were evaluated using thermochemical data at 298 K. The enthalpy of formation and entropy were derived for 36 substances.
Abstract: Thermochemical data on selected gas phase compounds containing sulfur, fluorine, oxygen, and hydrogen are evaluated. These are of particular relevance to plasma chemistry and SF6 dielectric breakdown. Values of the enthalpies of formation and the entropy are provided at 298 K. Where no experimental data are available, methods for estimation have been developed for deriving the enthalpy of formation. Data are tabulated for 36 substances.

347 citations


Journal ArticleDOI
TL;DR: In this article, the Gibbs energy functions of condensed and vapor phases are given in the form of equations valid over wide temperature ranges, along with the standard entropies and enthalpies of formation.
Abstract: In order to assess the high‐temperature vaporization behavior and equilibrium gas phase compositions over the condensed oxides of Be, Mg, Ca, Sr, Ba, B, Al, Ga, In, Tl, Si, Ge, Sn, Pb, Zn, Cd, and Hg, the relevant thermodynamic and molecular constant data have been compiled and critically evaluated. Selected values of the Gibbs energy functions of condensed and vapor phases are given in the form of equations valid over wide temperature ranges, along with the standard entropies and enthalpies of formation. These data were used to generate plots of equilibrium partial pressures of vapor species as functions of temperature for representative environmental conditions ranging from reducing to oxidizing. The calculated partial pressures and compositions agree, for the most part, with experimental results obtained under comparable conditions. Maximum vaporization rates have been calculated using the Hertz–Knudsen equation. Literature references are given.

330 citations


Journal ArticleDOI
TL;DR: In this paper, the authors surveyed spectroscopic data and reaction rate coefficients pertinent to ozone in the mesosphere and thermosphere (altitude >50 km) for modeling atmospheric infrared luminescence, measuring atmospheric ozone concentrations by remote sensing and designing and interpreting laboratory measurements.
Abstract: Spectroscopic data and reaction rate coefficients pertinent to ozone in the mesosphere and thermosphere (altitude >50 km) are critically surveyed. These data should be of use in modeling atmospheric infrared luminescence, measuring atmospheric ozone concentrations by remote sensing, and designing and interpreting laboratory measurements. There is a clear need for additional data on metastable ozone electronic states, additional atmospheric ozone formation channels, collision processes involving electrons and ions, and vibrational state dependence of reaction rate coefficients.

223 citations


Journal ArticleDOI
TL;DR: A very extensive literature survey of all available phase diagram and thermodynamic data has been carried out for all 40 possible common-anion binary systems (AX•BX) and all 30 possible commoncation binary systems involving the alkali halides (A,B =Li,Na, K,Rb,Cs; X,Y=F,Cl,Br,I).
Abstract: A very extensive literature survey of all available phase diagram and thermodynamic data has been carried out for all 40 possible common‐anion binary systems (AX‐BX) and all 30 possible common‐cation binary systems (AX‐AY) involving the alkali halides (A,B =Li,Na,K,Rb,Cs; X,Y=F,Cl,Br,I). A critical analysis and evaluation of these data have been performed with a view to obtaining a ‘‘best’’ evaluated phase diagram and a set of ‘‘best’’ evaluated thermodynamic parameters for each system. To this end, a computer‐assisted coupled analysis of the phase diagram data and the thermodynamic data for each system has been employed. Mathematical expressions for the thermodynamic properties of all known phases have been obtained which are consistent with the measured thermodynamic properties and phase diagrams as well as with established thermodynamic principles and theories of solution behavior. The parameters of these expressions are reported here and have been used to generate the computer‐calculated diagrams in the compilation.

221 citations


Journal ArticleDOI
TL;DR: In this paper, the authors present 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 C 2H6, all at low density.
Abstract: 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, e, 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 ea...

210 citations


Journal ArticleDOI
TL;DR: In this paper, the ground electronic state of O(3P) atoms with unsaturated hydrocarbons was evaluated and conservative uncertainty limits assigned to the rate parameters of the reactions.
Abstract: Chemical kinetic data for reactions of O(3P) atoms with unsaturated hydrocarbons are compiled and critically evaluated. Specifically, the reactions considered include the interactions of the ground electronic state of oxygen atoms, O(3P), with alkenes, cycloalkenes, halogen substituted alkenes and ketenes, alkynes, halogen substituted alkynes, aromatic hydrocarbons, halogen substituted aromatic hydrocarbons and pyridine. All kinetic data considered were restricted to gas phase reactions. ‘‘Recommended’’ values of the rate parameters have been assessed and conservative uncertainty limits assigned to them.

183 citations


Journal ArticleDOI
TL;DR: In this paper, the authors reviewed the data and information available through March 1985 on the various thermodynamic properties of five binary aluminum alloy systems: AlFe, AlMn, AlNi, AlSi, and AlTi.
Abstract: This work reviews the data and information available through March 1985 on the various thermodynamic properties of five binary aluminum alloy systems: Al–Fe, Al–Mn, Al–Ni, Al–Si, and Al–Ti The thermodynamic properties covered in this work are heat capacity, Gibbs energy, enthalpy, and entropy of formation Existing data have been evaluated and analyzed The values for heat capacity and room‐temperature enthalpy of formation for a large number of alloys have been generated For each of the binary alloy systems, the recommended values for integral Gibbs energy, enthalpy, and entropy of formation as well as the partial quantities, activity, and activity coefficients for each component covering the entire composition range have been reported These values are reported for both solid and liquid alloys

164 citations



Journal ArticleDOI
TL;DR: In this paper, the authors present the assessed thermochemical measurements on rubidium compounds upon which the property values, Δf H0, Δ f G0, S0, C0p, and H0(T)−H0(0) at 298.15 K and Δf ǫ h 0(0 K) recommended in the NBS Tables of Chemical Thermodynamic Properties, are based.
Abstract: This report presents the assessed thermochemical measurements on rubidium compounds upon which the property values, Δf H0, Δf G0, S0, C0p, and H0(T)−H0(0) at 298.15 K and Δf H0(0 K) recommended in the ‘‘NBS Tables of Chemical Thermodynamic Properties’’ are based. Included in this set of thermochemical measurements, or thermochemical reaction catalog, is a comparison of the observed values for the processes in question with those predicted (calculated) from the recommended property values in the forementioned tables. The evaluator’s initially assigned uncertainties on the experimental measurements and final estimated reliabilities on the recommended process values are given. This paper illustrates the evaluation procedure used in preparing the full set of recommended data in the ‘‘NBS Tables of Chemical Thermodynamic Properties’’.

Journal ArticleDOI
TL;DR: In this paper, PρT data are correlated by an equation of state (EOS) which is constrained to the given coexistence boundary, and the thermodynamic properties of methanol then are obtained by numerical integrations of the EOS, and are tabulated along isobars.
Abstract: Available data for vapor pressures and for the orthobaric densities of methanol are examined and formulated. Then, PρT data are correlated by an equation of state (EOS) which is constrained to the given coexistence boundary. Via ideal gas state specific heats, the thermodynamic properties of methanol then are obtained by numerical integrations of the EOS, and are tabulated along isobars. A comparison is made with some recent calorimetric enthalpy differences data over a wide range of the EOS surface.

Journal ArticleDOI
TL;DR: In this article, a global least-squares technique is developed to assist in the critical evaluation of data consisting of large sets of measurements, particularly designed to handle sets of data where many of the measurements are relative measurements.
Abstract: A global least‐squares technique is developed to assist in the critical evaluation of data consisting of large sets of measurements. The technique is particularly designed to handle sets of data where many of the measurements are relative measurements. A linearization procedure is used to reduce the inherently nonlinear problem to a traditional multivariate linear regression. The technique developed here is used to evaluate extinction coefficients, e’s, of triplet–triplet absorption (TTA) spectra of organic molecules in condensed phases. A previous assumption, that there are no solvent effects on the TTA spectra, is investigated and modified so that a group of compounds measured in benzene is treated separately. The set of 445 e’s obtained from the global least‐squares fit, including these solvent effects, is presented in the accompanying tables. How these least‐squares results can be used in a hierarchy of TTA e standards is discussed. Further solvent effects such as the separation of polar and nonpolar media and the influence of temperature are probed.

Journal ArticleDOI
TL;DR: In this paper, the viscosity and thermal conductivity of fluid nitrogen were evaluated and correlated on the basis of a comprehensive literature survey and a so-called transport equation of state was established.
Abstract: The viscosity and the thermal conductivity of fluid nitrogen were critically evaluated and correlated on the basis of a comprehensive literature survey. Recommended values were generated in a temperature range from 70 to 1100 K and pressures up to 100 MPa using the residual concept. To retain consistency with the IUPAC Thermodynamic Tables, the same thermodynamic key data were used. Additionally, a so‐called transport equation of state was established that makes it possible to achieve a unified representation of the viscosity and thermal conductivity in terms of pressure and temperature.


Journal ArticleDOI
TL;DR: A comprehensive compilation of 13C chemical shieldings in solids, organized by carbon functionality, is presented in this article, where the principal components of the shielding reveal differences in bonding geometry which may not be correlated to monotonic changes in the isotropic shift.
Abstract: Analogous to the importance of 13C isotropic shieldings for chemical analysis of liquids with nuclear magnetic resonance spectroscopy, 13C chemical shielding anisotropies are proving to be valuable in the characterization of solids. Specifically, molecular geometry is revealed by the full shielding anisotropy and molecular motion may be characterized by changes in the powder pattern. In particular, the principal components of the shielding reveal differences in bonding geometry which may not be correlated to monotonic changes in the isotropic shift. This report is a comprehensive, critical compilation of 13C chemical shieldings in solids, organized by carbon functionality. From these data, representative shieldings of common carbon functionalities are calculated.

Journal ArticleDOI
P. D. Desai1
TL;DR: In this article, the authors reviewed and discussed the data on the various thermodynamic properties of manganese and molybdenum available through March 1985, including heat capacity, enthalpy, entropy, entropy of transitions and melting, vapor pressure, and entropy of vaporization.
Abstract: This work reviews and discusses the data on the various thermodynamic properties of manganese and molybdenum available through March 1985. These include heat capacity, enthalpy, enthalpy of transitions and melting, vapor pressure, and enthalpy of vaporization. The existing data have been critically evaluated and analyzed. The recommended values for the heat capacity, enthalpy, entropy, and Gibbs energy function from 0.5 to 2400 K for manganese and from 0.4 to 5000 K for molybdenum have been generated, as have heat capacity values for supercooled β‐Mn and for γ‐Mn below 298.15 K. The recommended values for vapor pressure cover the temperature range from 298.15 to 2400 K for manganese and from 298.15 to 5000 K for molybdenum. These values are referred to temperatures based on IPTS‐1968. The uncertainties in the recommended values of the heat capacity range from ±3% to ±5% for manganese and from ±1.5% to ±3% for molybdenum.

Journal ArticleDOI
TL;DR: In this paper, the viscosity of the three polyatomic gases, carbon dioxide, methane, and sulfur hexafluoride, in the limit of zero density was studied, and it was shown that a two-parameter law of corresponding states is inadequate for the representation of the data over these wide ranges of temperature.
Abstract: The paper contains accurate representations for the viscosity of the three polyatomic gases, carbon dioxide, methane, and sulfur hexafluoride, in the limit of zero density. These gases were studied because they possess permanent multipole moments of increasing order 4, 6, and 8, respectively. The correlations have associated uncertainties of ±0.3% around room temperature rising to ±1.5% at the low‐temperature extreme and to a maximum of ±2.0% at the high‐temperature extreme. The correlating equation for carbon dioxide is valid for the temperature range 200–1500 K, that for methane from 110–1050 K and that for sulfur hexafluoride from 220–900 K. It is shown that a two‐parameter law of corresponding states is inadequate for the representation of the data over these wide ranges of temperature.

Journal ArticleDOI
TL;DR: In this paper, the literature values for the viscosity-molecular weight relationship (Mark-Houwink-Sakurada) for poly(methyl methacrylate) have been critically evaluated.
Abstract: In this third review of a series, the literature values for the viscosity‐molecular weight relationship (Mark–Houwink–Sakurada) for poly(methyl methacrylate) have been critically evaluated. Although most of the studies have been concerned with conventionally produced poly(methyl methacrylate), some work has also been done with the isotactic polymer. The Mark–Houwink relations for the following solvents are discussed: benzene, toluene, acetone, chloroform, 2‐butanone, and tetrahydrofuran, as well as for several other infrequently used solvents. The values of the coefficient K in the relation [η]=KM0.5 for several theta solvents are also reported.

Journal ArticleDOI
TL;DR: In this paper, a short review of the work on each stage of ionization is included, and the best results, in their judgement, are quoted, in our judgement, in a judgement given by the authors.
Abstract: Wavelengths, intensities, and classifications for the molybdenum ions Mo VI to Mo XLII are compiled. A short review of the work on each stage of ionization is included. The data are critically evaluated and the best results, in our judgement, are quoted.

Journal ArticleDOI
TL;DR: In this paper, the Gibbs energy function was calculated for 131 gaseous ions in the temperature interval 100-1000 K, and the input data included structural information (bond lengths and angles), vibrational spectroscopic information (vibrational frequencies and degeneracies), and electronic level occupation and degeneracy for ions having unpaired electrons.
Abstract: The standard thermodynamic functions—heat capacity at constant pressure C○p, its ratio to that at constant volume, the entropy S○, the enthalpy minus that at absolute zero (H○−H○0), and the Gibbs energy function (G○−H○0)/T were calculated for 131 gaseous ions in the temperature interval 100–1000 K, and are presented in tables The input data included structural information (bond lengths and angles), vibrational spectroscopic information (vibrational frequencies and degeneracies), and electronic level occupation and degeneracies for ions having unpaired electrons These were taken mainly from a recent review by the authors, and supplemented by further data from the literature, updated to the end of 1985

Journal ArticleDOI
TL;DR: A review of surface structures derived from low-energy electron diffraction (LEED) crystallography reported in the referred literature prior to January 1986 is presented in this article, where 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.
Abstract: This review critically compiles all surface structures derived from low‐energy electron diffraction (LEED) crystallography reported in the referred literature prior to January 1986. Over 250 investigations have been analyzed covering all types of surfaces including clean and adsorbate‐covered metal, semiconductor and other nonmetallic substrates. Particular attention is paid to developing and applying objective criteria that allow an estimation of the reliability of a particular structural determination. 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

Journal ArticleDOI
TL;DR: In this article, a new representation of the viscosity of normal deuterium in the limit of zero density as a function of temperature is presented, which is based upon the semiclassical kinetic theory of polyatomic gases and a body of critically evaluated experimental data.
Abstract: This paper contains a new representation of the viscosity of normal deuterium in the limit of zero density as a function of temperature. The correlation is based upon the semiclassical kinetic theory of polyatomic gases and a body of critically evaluated experimental data. The similarity of the intermolecular pair potentials of normal hydrogen and normal deuterium is employed to extrapolate the correlation for deuterium beyond the range of the experimental data. In the temperature range 250–350 K the accuracy of the representation of the viscosity is estimated to be ±1%, which deteriorates to ±2% at the lowest temperatures and to ±4% at the highest temperatures.

Journal ArticleDOI
TL;DR: The previously published compilation of rate data for inelastic collision processes involving the homonuclear and heteronuclear diatomic halogen molecules [J. Phys. Chem. Ref. Data 13, 445 (1984)] has been updated through June, 1986 as mentioned in this paper.
Abstract: The previously published compilation of rate data for inelastic collision processes involving the homonuclear and heteronuclear diatomic halogen molecules [J. Phys. Chem. Ref. Data 13, 445 (1984)] has been updated through June, 1986. Additional data on collision processes involving the interhalogens, and on processes at very low kinetic temperatures, are presented; in addition, several previously accepted rate data have been corrected.

Journal ArticleDOI
TL;DR: In this article, the volume change of mixing data for the methanol+hydrocarbon binary mixtures have been compiled and the best sets of data identified, and the needs for new experimental data have been defined.
Abstract: The volume change of mixing data for the methanol+hydrocarbon binary mixtures have been compiled and the best sets of data identified. The needs for new experimental data have been defined.

Journal ArticleDOI
TL;DR: In this paper, it was found that the standard enthalpies of formation ΔfH○298 of double salts of the type MXaYb are related by a simple additivity relation to Δfhϋ298(MXY) of their binary salts MXc and MYd.
Abstract: 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=−134 or −176 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 55 kJ/mol with a maximum deviation of 107 kJ/mol For eight trivalent metal compounds the average deviations are 139 kJ/mol with a maximum of 506 kJ/mol For five tetravalent compounds, the average deviations are 35 kJ/mol with a maximum of 63 kJ/mol

Journal ArticleDOI
TL;DR: The heat of mixing data for the methanol+hydrocarbon binary mixtures have been compiled and the best sets of data identified as mentioned in this paper, and the needs for new experimental data have been defined.
Abstract: The heat of mixing data for the methanol+hydrocarbon binary mixtures have been compiled and the best sets of data identified. The needs for new experimental data have been defined.