Showing papers in "Journal of Physical and Chemical Reference Data in 2014"
TL;DR: A comprehensive review of the thermodynamic properties of the oxide compounds of the lanthanide and actinide elements is presented in this article, where the available literature data for the solid, liquid, and gaseous state have been analyzed and recommended values are presented.
Abstract: A comprehensive review of the thermodynamic properties of the oxide compounds of the lanthanide and actinide elements is presented. The available literature data for the solid, liquid, and gaseous state have been analysed and recommended values are presented. In case experimental data are missing, estimates have been made based on the trends in the two series, which are extensively discussed.
245 citations
TL;DR: In this paper, an analysis is presented of measured and calculated cross sections for inner-shell ionization by electron impact, and the essentials of classical and semiclassical models and quantum approximations for computing ionization cross sections.
Abstract: An analysis is presented of measured and calculated cross sections for inner-shell ionization by electron impact. We describe the essentials of classical and semiclassical models and of quantum approximations for computing ionization cross sections. The emphasis is on the recent formulation of the distorted-wave Born approximation by Bote and Salvat [Phys. Rev. A 77, 042701 (2008)] that has been used to generate an extensive database of cross sections for the ionization of the K shell and the L and M subshells of all elements from hydrogen to einsteinium (Z = 1 to Z = 99) by electrons and positrons with kinetic energies up to 1 GeV. We describe a systematic method for evaluating cross sections for emission of x rays and Auger electrons based on atomic transition probabilities from the Evaluated Atomic Data Library of Perkins et al. [Lawrence Livermore National Laboratory, UCRL-ID-50400, 1991]. We made an extensive comparison of measured K-shell, L-subshell, and M-subshell ionization cross sections and of ...
124 citations
TL;DR: In this paper, an equation of state for the thermodynamic properties of cold and supercooled water is presented for temperatures from the homogeneous ice nucleation temperature up to 300 K and for pressures up to 400 MPa.
Abstract: An equation of state is presented for the thermodynamic properties of cold and supercooled water. It is valid for temperatures from the homogeneous ice nucleation temperature up to 300 K and for pressures up to 400 MPa, and can be extrapolated up to 1000 MPa. The equation of state is compared with experimental data for the density, expansion coefficient, isothermal compressibility, speed of sound, and heat capacity. Estimates for the accuracy of the equation are given. The melting curve of ice I is calculated from the phase-equilibrium condition between the proposed equation and an existing equation of state for ice I.
94 citations
TL;DR: In this article, a reference correlation for the surface tension of seawater at atmospheric pressure using the Wilhelmy plate method is presented. But the experimental procedures were validated with tests conducted on ACS reagent grade water and aqueous sodium chloride solutions.
Abstract: New measurements and a reference correlation for the surface tension of seawater at atmospheric pressure are presented in this paper. Surface tension of seawater was measured across a salinity range of 20 ⩽ S ⩽ 131 g/kg and a temperature range of 1 ⩽ t ⩽ 92 °C at atmospheric pressure using the Wilhelmy plate method. The uncertainty within measurements varied from 0.18 to 0.37 mN/m with the average uncertainty being 0.22 mN/m. The experimental procedures were validated with tests conducted on ACS reagent grade water and aqueous sodium chloride solutions. Literature data and present measurements were evaluated and a reference correlation was developed expressing surface tension of seawater as a function of temperature and salinity. The average absolute percentage deviation between measurements and the correlation was 0.19% while the maximum deviation was 0.60%.
80 citations
TL;DR: In this paper, a new fundamental equation for ethanol, in the form of Helmholtz energy as a function of temperature and density, is presented, along with ancillary equations for vapor pressure, saturated liquid density, saturated vapor density, and ideal gas heat capacity.
Abstract: The existing fundamental equation for ethanol demonstrates undesirable behavior in several areas and especially in the critical region. In addition, new experimental data have become available in the open literature since the publication of the current correlation. The development of a new fundamental equation for ethanol, in the form of Helmholtz energy as a function of temperature and density, is presented. New, nonlinear fitting techniques, along with the new experimental data, are shown to improve the behavior of the fundamental equation. Ancillary equations are developed, including equations for vapor pressure, saturated liquid density, saturated vapor density, and ideal gas heat capacity. Both the fundamental and ancillary equations are compared to experimental data. The fundamental equation can compute densities to within ±0.2%, heat capacities to within ±1%–2%, and speed of sound to within ±1%. Values of the vapor pressure and saturated vapor densities are represented to within ±1% at temperatures of 300 K and above, while saturated liquid densities are represented to within ±0.3% at temperatures of 200 K and above. The uncertainty of all properties is higher in the critical region and near the triple point. The equation is valid for pressures up to 280 MPa and temperatures from 160 to 650 K.
59 citations
TL;DR: In this paper, the authors present an update of the Solubility Data Series Volume 7 published in 1981 on oxygen and ozone, covering from 1981 to 2009 with some papers from 2010.
Abstract: This volume is an update of the Solubility Data Series Volume 7 published in 1981 on oxygen and ozone. For this volume, the literature was covered from 1981 to 2009 with some papers from 2010. Some earlier papers missed in the 1981 volume are included. Interest in the solubility of oxygen and of ozone continues to be high. The solubility of oxygen in water at low pressure seems well established, but more work is needed on the solubility of oxygen in water at high pressure and high temperature. There is now a wealth of salt-effect data on the solubility in aqueous salt solutions, but some glaring discrepancies still exist. Little has been done on salt effects at high pressure and high temperature. The solubility data of oxygen in hydrocarbons seem sparse. The solubility of oxygen in alcohols through C5 seems well established. Between the 1981 volume and this volume, there are solubility data in over 70 fluorocarbons and fluorocarbon compounds with O, H, S, and N. A new area is the solubility of oxygen in ionic liquids, which are becoming increasingly important as replacement solvents for volatile organic solvents. Information on the solubility of ozone in water, aqueous solutions and organic liquids has also been updated.
58 citations
TL;DR: In this paper, a set of data was constructed for each of these fluids by including principally the values given in the DIPPR, DETHERM, and TDE databases and Wohlfarth's book, and the correlation expression used is the same as used for other fluids in this paperPROP.
Abstract: Accurate correlations are given for the temperature dependence of the surface tension of 37 fluids included in NIST's REFPROP program. The surface tension of these fluids was not included in the most recent version of this program, V9.12. A set of data was constructed for each of these fluids by including principally the values given in the DIPPR, DETHERM, and TDE databases and Wohlfarth and Wohlfarth's book. For some fluids, other available sources of data were added in order to obtain adequate sets. The correlation expression used is the same as used for other fluids in REFPROP. For 31 fluids it was enough to use two adjustable coefficients, whereas four coefficients were needed for the other 6 fluids. For 19 fluids, the mean average percentage deviation was below 1%, and for another 16 it ranged from 1% to 2%.
47 citations
TL;DR: In this paper, the authors present reference equations for the viscosity of toluene with respect to the triple point (178.0 K) to 675 K and at pressures up to 500 MPa.
Abstract: This paper contains new, representative reference equations for the viscosity of toluene. 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. The correlations are valid from the triple point (178.0 K) to 675 K, and at pressures up to 500 MPa. The estimated uncertainty at a 95% confidence level varies depending on the region of temperature and pressure from a low of 0.3% for the low-density gas at temperatures from 305 to 640 K at pressures to 0.3 MPa (essentially the uncertainty of the best experimental data) to 0.7% for the saturated liquid at temperatures from 263 to 373 K, to 5% for the low-temperature liquid from 187 to 210 K at pressures to 15 MPa.
42 citations
TL;DR: In this article, the authors present reference correlations for both the density and viscosity of squalane at high pressure, based on critically evaluated experimental data taken from the literature.
Abstract: This paper presents new reference correlations for both the density and viscosity of squalane at high pressure. These correlations are based on critically evaluated experimental data taken from the literature. In the case of the density, the correlation, based on the Tait equation, is valid from 273 to 473 K at pressures to 200 MPa. At 0.1 MPa, it has an average absolute deviation of 0.03%, a bias of −0.01%, and an expanded uncertainty (at the 95% confidence level) of 0.06%. Over the whole range of pressures, the density correlation has an average absolute deviation of 0.05%, a bias of −0.004%, and an expanded uncertainty (at the 95% confidence level) of 0.18%. In the case of the viscosity, two correlations are presented, one a function of density and temperature, based on the Assael-Dymond model, and the other a function of temperature and pressure, based on a modified Vogel-Fulcher-Tammann equation. The former is slightly superior to the latter at high temperatures (above 410 K), whereas the reverse is true at low temperatures, where the viscosity is strongly temperature dependent. In the temperature range from 320 to 473 K at pressures to 200 MPa, the first correlation has an average absolute deviation of 1.41%, a bias of −0.09%, and an expanded uncertainty (at the 95% confidence level) of 3%. Below 320 K, deviations from the present scheme rise to a maximum of 20%. In the temperature range from 278 to 473 K at pressures to 200 MPa, the second viscosity correlation has an average absolute deviation of 1.7%, a bias of −0.04%, and an expanded uncertainty (at the 95% confidence level) of 4.75%.
38 citations
TL;DR: In this paper, the authors compiled and reviewed solubility data for 33 nonsteroidal anti-inflammatory drugs dissolved in neat organic solvents and in well-defined binary and ternary organic solvent.
Abstract: Solubility data are compiled and reviewed for 33 nonsteroidal anti-inflammatory drugs dissolved in neat organic solvents and in well-defined binary and ternary organic solvents. The compiled solubility data were retrieved primarily from the chemical and pharmaceutical literature covering the period from 1980 to the beginning of 2014.
35 citations
TL;DR: In this article, an equation of state for cyclohexane has been developed using the Helmholtz energy as the fundamental property with independent variables of density and temperature, and it is valid from the triple point temperature to 700 K, with pressures up to 250 MPa and densities up to 10.3 mol−3.
Abstract: An equation of state for cyclohexane has been developed using the Helmholtz energy as the fundamental property with independent variables of density and temperature. Multi-property fitting technology was used to fit the equation of state to data for pρT, heat capacities, sound speeds, virial coefficients, vapor pressures, and saturated densities. The equation of state was developed to conform to the Maxwell criteria for two-phase vapor-liquid equilibrium states, and is valid from the triple-point temperature to 700 K, with pressures up to 250 MPa and densities up to 10.3 mol dm−3. In general, the uncertainties (k = 2, indicating a level of confidence of 95%) in density for the equation of state are 0.1% (liquid and vapor) up to 500 K, and 0.2% above 500 K, with higher uncertainties within the critical region. Between 283 and 473 K with pressures lower than 30 MPa, the uncertainty is as low as 0.03% in density in the liquid phase. The uncertainties in the speed of sound are 0.2% between 283 and 323 K in th...
TL;DR: In this paper, a new fundamental equation of state for the thermodynamic properties of fluid deuterium is presented, which is valid from the melting line to a maximum pressure of 2000 MPa and an upper temperature limit of 600 K. The uncertainty in predicted density is 0.5% over the valid temperature range and pressures up to 300 MPa.
Abstract: World utilization of deuterium is anticipated to increase with the rise of fusion-energy machines such as ITER and NIF. We present a new fundamental equation of state for the thermodynamic properties of fluid deuterium. Differences between thermodynamic properties of orthodeuterium, normal deuterium, and paradeuterium are described. Separate ideal-gas functions were fitted for these separable forms together with a single real-fluid residual function. The equation of state is valid from the melting line to a maximum pressure of 2000 MPa and an upper temperature limit of 600 K, corresponding to available experimental measurements. The uncertainty in predicted density is 0.5% over the valid temperature range and pressures up to 300 MPa. The uncertainties of vapor pressures and saturated liquid densities are 2% and 3%, respectively, while speed-of-sound values are accurate to within 1% in the liquid phase.
TL;DR: In this paper, a new correlation for the viscosity of cyclohexane is presented based upon a body of experimental data that has been critically assessed for internal consistency and for agreement with theory.
Abstract: A new correlation for the viscosity of cyclohexane is presented. The correlation is based upon a body of experimental data that has been critically assessed for internal consistency and for agreement with theory. It is applicable in the temperature range from the triple point to 700 K at pressures up to 110 MPa. In the dilute gas region, at pressures below 0.3 MPa, the correlation is valid up to 873 K. The overall uncertainty of the proposed correlation, estimated as the combined expanded uncertainty with a coverage factor of 2, varies from 0.5% for the viscosity of the dilute gas and of liquid at ambient pressure to 5% for the viscosity at high pressures and temperatures. Tables of the viscosity generated by the relevant equations, at selected temperatures and pressures and along the saturation line, are provided.
TL;DR: In this article, the authors present new, representative reference equations for the thermal conductivity of o-xylene, m-, p-xane, and ethylbenzene, which are applicable for the temperature range from the triple point of each fluid to 700 K, and an upper pressure limit determined by the maximum density limit for the equation of state used to provide density.
Abstract: This paper contains new, representative reference equations for the thermal conductivity of o-xylene, m-xylene, p-xylene, and ethylbenzene. The equations are based in part upon a body of experimental data that has been critically assessed for internal consistency and for agreement with theory whenever possible. In the case of the dilute-gas thermal conductivity, a theoretically based correlation was adopted in order to extend the temperature range of the experimental data. Moreover, in the critical region, the experimentally observed enhancement of the thermal conductivity is well represented by theoretically based equations containing just one adjustable parameter. All four correlations are applicable for the temperature range from the triple point of each fluid to 700 K, and an upper pressure limit determined by the maximum density limit for the equation of state used to provide density. At the upper temperature limit of 700 K, the maximum pressure was 200 MPa for m-xylene and p-xylene, but 60 and 70 MPa for ethylbenzene and o-xylene, respectively. At lower temperatures, the maximum pressure is lower. The overall uncertainty (at the 95% confidence level) of the correlations of the thermal conductivity of o-, m-, p-xylene, and ethylbenzene, over their range of applicability, varies for each fluid. For o-xylene, we estimate the uncertainty for liquid and supercritical densities for temperatures from the triple point to 400 K to be 2.6%, and 4% at higher temperatures, and in the dilute-gas region we estimate the uncertainty to be 2%. For m-xylene, the estimated uncertainty for liquid and supercritical densities at temperatures from the triple point to 375 K is 3.6%, and 5% at higher temperatures, and 6% for the dilute gas. For p-xylene, the estimated uncertainty for liquid and supercritical densities at temperatures from the triple point to 700 K is 3.6%, and 2.5% for the dilute gas. Finally, for ethylbenzene the estimated uncertainty for liquid and supercritical densities at temperatures from the triple point to 400 K is 2.8%, and 2.5% in the dilute-gas region. Uncertainties in the critical region for all four fluids are much larger, since the thermal conductivity approaches infinity at the critical point and is very sensitive to small changes in density.
TL;DR: In this paper, reports of experimental determinations of solubility for 30 ternary systems of C4-C10 alcohols with hydrocarbons and water are exhaustively compiled and critically evaluated.
Abstract: Reports of experimental determinations of solubility for 30 ternary systems of C4–C10 alcohols with hydrocarbons and water are exhaustively compiled and critically evaluated. Reports of experimental determination of solubility that appeared in the primary literature prior to the middle of 2012 are included. For seven systems, sufficient data (two or more independent desterminations) for critical evaluation are available. 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, two additional criteria were used for each of the evaluated systems. These systems include two binary miscibility gaps in the alcohol + water and hydrocarbon + water subsystems. The binary tie lines were compared with the recommended values published previously and with values obtained with a predictive NRTL model.
Journal Article•
Journal Article•