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  • Artikel  (132)
  • American Institute of Physics (AIP)  (132)
  • Institute of Physics
  • Journal of Physical and Chemical Reference Data  (132)
  • 6626
  • 1
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    American Institute of Physics (AIP)
    Publikationsdatum: 2016-12-07
    Beschreibung: A new viscosity formulation for propane, using the reference equation of state for its thermodynamic properties by Lemmon et al. [J. Chem. Eng. Data 54 , 3141 (2009)] and valid in the fluid region from the triple-point temperature to 650 K and pressures up to 100 MPa, is presented. At the beginning, a zero-density contribution and one for the critical enhancement, each based on the experimental data, were independently generated in parts. The higher-density contributions are correlated as a function of the reciprocal reduced temperature τ = T c / T and of the reduced density δ = ρ / ρ c ( T c —critical temperature, ρ c —critical density). The final formulation includes 17 coefficients inferred by applying a state-of-the-art linear optimization algorithm. The evaluation and choice of the primary data sets are detailed due to its importance. The viscosity at low pressures p ≤ 0.2 MPa is represented with an expanded uncertainty of 0.5% (coverage factor k = 2) for temperatures 273 ≤ T /K ≤ 625. The expanded uncertainty in the vapor phase at subcritical temperatures T ≥ 273 K as well as in the supercritical thermodynamic region T ≤ 423 K at pressures p ≤ 30 MPa is assumed to be 1.5%. In the near-critical region (1.001 〈 1/ τ 〈 1.010 and 0.8 〈 δ 〈 1.2), the expanded uncertainty increases with decreasing temperature up to 3.0%. It is further increased to 4.0% in regions of less reliable primary data sets and to 6.0% in ranges in which no primary data are available but the equation of state is valid. Tables of viscosity computed for the new formulation are given in an Appendix for the single-phase region, for the vapor–liquid phase boundary, and for the near-critical region.
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    Thema: Chemie und Pharmazie , Physik
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  • 2
    Publikationsdatum: 2016-11-23
    Beschreibung: This paper gives the 2014 self-consistent set of values of the constants and conversion factors of physics and chemistry recommended by the Committee on Data for Science and Technology (CODATA). These values are based on a least-squares adjustment that takes into account all data available up to 31 December 2014. Details of the data selection and methodology of the adjustment are described. The recommended values may also be found at http://physics.nist.gov/constants .
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  • 3
    Publikationsdatum: 2016-10-25
    Beschreibung: Most of the chemical elements have now been compressed close to or above 100 GPa (1 Mbar) pressure in diamond-anvil cells and the pressure–volume room-temperature isotherms have been measured. We collect these data and use simple lattice-dynamics models to reduce the isotherms to 0 K. We have extended the published work by making new diamond-anvil-cell measurements on Cr and Rh, and by conducting density-functional calculations on the elements Po, At, Rn, Fr, Ra, and Ac. The 0 K data are tabulated for all elements 1 ≤ Z ≤ 92 and 0 ≤ P ≤ 100 GPa. These data are useful for generating wide-range equation of state models and for studying the stability of chemical compounds at high pressure (“Megabar chemistry”). The tables presented here are intended to be reference thermodynamic tables for use in high-pressure research. Further experimental and theoretical work will be needed to extend the tables to higher pressure and to improve accuracy.
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  • 4
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    American Institute of Physics (AIP)
    Publikationsdatum: 2016-09-02
    Beschreibung: Cross section data are reviewed for electron collisions with nitric oxide. Collision processes considered are total scattering, elastic scattering, momentum transfer, excitations of rotational, vibrational, and electronic states, ionization, and dissociative electron attachment. After a survey of the literature (up to the end of 2015), recommended values of the cross section are determined, as far as possible.
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  • 5
    Publikationsdatum: 2016-08-17
    Beschreibung: In previous papers, we have proposed specific correlations to reproduce the surface tension values for several sets of fluids and for wide ranges of temperatures. In this paper, we focus our attention on organic fatty (aliphatic, carboxylic, and polyfunctional) acids. We have taken into account the available data and values in the DIPPR and DETHERM databases and also Wohlfarth and Wohlfarth’s (1997) book. In some cases we have also considered new data published elsewhere. All the data and values have been carefully filtered and subsequently fitted with the use of the model currently implemented in NIST’s REFPROP program, calculating two or four adjustable coefficients for each fluid. As a result, we propose recommended correlations for 99 acids, providing mean absolute percentage deviations below 1.6% in all cases.
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  • 6
    Publikationsdatum: 2016-08-04
    Beschreibung: New, wide-range reference equations for the thermal conductivity of ethene and propene as a function of temperature and density are presented. The equations are based in part upon a body of experimental data that have been critically assessed for internal consistency and for agreement with theory whenever possible. For ethene, we estimate the uncertainty (at the 95% confidence level) for the thermal conductivity from 110 to 520 K at pressures up to 200 MPa to be 5% for the compressed liquid and supercritical phases. For the low-pressure gas phase (to 0.1 MPa) over the temperature range 270–680 K, the estimated uncertainty is 4%. The correlation is valid from 110 to 680 K and up to 200 MPa, but it behaves in a physically reasonable manner down to the triple point and may be used at pressures up to 300 MPa, although the uncertainty will be larger in regions where experimental data were unavailable. In the case of propene, data are much more limited. We estimate the uncertainty for the thermal conductivity of propene from 180 to 625 K at pressures up to 50 MPa to be 5% for the gas, liquid, and supercritical phases. The correlation is valid from 180 to 625 K and up to 50 MPa, but it behaves in a physically reasonable manner down to the triple point and may be used at pressures up to 100 MPa, although the uncertainty will be larger in regions where experimental data were unavailable. For both fluids, uncertainties in the critical region are much larger, since the thermal conductivity approaches infinity at the critical point and is very sensitive to small changes in density.
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  • 7
    Publikationsdatum: 2016-07-26
    Beschreibung: The mutual solubilities and related liquid–liquid equilibria for 11 ternary systems of C 1 –C 3 alcohols with aromatic hydrocarbons and water are exhaustively and critically reviewed. Reports of experimental determination of solubility that appeared in the primary literature prior to the end of 2012 are compiled. For nine systems, sufficient data are available (two or more independent determinations) to allow critical evaluation. All new data are expressed as mass percent and mole fraction as well as the originally reported units. In addition to the standard evaluation criteria used throughout the Solubility Data Series, an additional criterion was used for each of the evaluated systems. These systems include one binary miscibility gap in the hydrocarbon + water subsystem. The binary tie lines were compared with the recommended values published previously.
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  • 8
    Publikationsdatum: 2016-07-26
    Beschreibung: The mutual solubilities and related liquid–liquid equilibria for 37 ternary systems of C 1 –C 3 alcohols with aliphatic hydrocarbons and water are exhaustively and critically reviewed. Reports of experimental determination of solubility that appeared in the primary literature prior to the end of 2012 are compiled. For 14 systems, sufficient data are available (two or more independent determinations) to allow critical evaluation. All data are expressed as mass percent and mole fraction as well as the originally reported units. In addition to the standard evaluation criteria used throughout the Solubility Data Series, an additional criterion was used for each of the evaluated systems. These systems include one binary miscibility gap in the hydrocarbon + water subsystem and another one can be in the methanol + hydrocarbon subsystem. The binary tie lines were compared with the recommended values published previously.
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  • 9
    Publikationsdatum: 2016-07-22
    Beschreibung: A compendium of phase change enthalpies published in 2010 is updated to include the period 1880–2015. Phase change enthalpies including fusion, vaporization, and sublimation enthalpies are included for organic, organometallic, and a few inorganic compounds. Part 1 of this compendium includes organic compounds from C 1 to C 10 . Part 2 of this compendium, to be published separately, will include organic and organometallic compounds from C 11 to C 192 . Sufficient data are presently available to permit thermodynamic cycles to be constructed as an independent means of evaluating the reliability of the data. Temperature adjustments of phase change enthalpies from the temperature of measurement to the standard reference temperature, T = 298.15 K, and a protocol for doing so are briefly discussed.
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  • 10
    Publikationsdatum: 2016-06-04
    Beschreibung: We have set up and manually curated a dataset containing experimental information on the impact of amino acid substitutions in a protein on its thermal stability. It consists of a repository of experimentally measured melting temperatures ( T m ) and their changes upon point mutations (Δ T m ) for proteins having a well-resolved x-ray structure. This high-quality dataset is designed for being used for the training or benchmarking of in silico thermal stability prediction methods. It also reports other experimentally measured thermodynamic quantities when available, i.e., the folding enthalpy (Δ H ) and heat capacity (Δ C P ) of the wild type proteins and their changes upon mutations (ΔΔ H and ΔΔ C P ), as well as the change in folding free energy (ΔΔ G ) at a reference temperature. These data are analyzed in view of improving our insights into the correlation between thermal and thermodynamic stabilities, the asymmetry between the number of stabilizing and destabilizing mutations, and the difference in stabilization potential of thermostable versus mesostable proteins.
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