Volume 11, Issue 1, January 1982
Index of content:
11(1982); http://dx.doi.org/10.1063/1.555661View Description Hide Description
A fundamental equation of state has been formulated for heavy water in the form Ψ = Ψ(p,T) in which Ψ = Helmholtz free energyp = density T = thermodynamic temperature. The complete range of single phase states in the range up to 100 MPa and 600 °C is covered by a single equation which is fitted both to P v T values, for saturated and unsaturated states, and to enthalpy values for saturation states only. The equation is constrained to fit the critical point conditions determined by Blank. It represents all thermodynamic properties of D2O, in the above range of states, within what is believed to be the accuracy of the experimental data.
11(1982); http://dx.doi.org/10.1063/1.555660View Description Hide Description
Literature data for the volumetric properties of sodium chloride solutions to concentrations of 5.5 molal have been compiled and critically evaluated. A semi‐empirical equation of the same type found to be effective in describing the thermal properties of NaCl solutions has been used to reproduce the volumetric data from O °C to 300 °C and 1 bar to 1000 bar. Tables of values are given for the specific volume, expansivity, and compressibility. Equations also are given for calculating the pressure dependence of the free energy,enthalpy, and heat capacity. These equations can be combined with a treatment of thermal properties to form a complete equation of state for sodium chloride solutions.
11(1982); http://dx.doi.org/10.1063/1.555656View Description Hide Description
Ideal gas thermodynamicproperties,C° p ,S°,(G°−H°298)/T,H° t −H°298,ΔH°F,ΔG°F and log K p of formation for CH3, CD3, CD4, C2D2, C2D4, C2D6, C2H6, CH3N2CH3 and CD3N2CD3 in the temperature range O–3000 K and at 1 atmosphere have calculated by statistical thermodynamic methods employing spectroscopic and other molecular constants. The rigid rotor‐harmonic oscillator model has been used. Estimated uncertainties in the thermodynamic properties due to uncertainties in the molecular properties and estimates of the effects of vibrational anharmonicities are also reported for each compound at three temperatures.
11(1982); http://dx.doi.org/10.1063/1.555657View Description Hide Description
Peak absorption coefficients αmax for the J = 1←O,J = 2←1 and J = 3←2 rotational transitions in carbonyl sulphide have been calculated for the different isotopic molecular species in natural abundance and in each case for a range of vibrational states. The results are tabulated for convenience both in order of values of αmax and in order of transition frequencies. Calculations have also been made, on a less extensive basis, for transitions from J = 4←3 to J = 25←24, and peak absorption coefficients have been tabulated, in order of values of αmax, for each of these transitions. The tables provide a frequency coverage of approximately 10 to 300 GHz. Comparison with available experimental results shows satisfactory agreement.
11(1982); http://dx.doi.org/10.1063/1.555658View Description Hide Description
An often overlooked, but nonetheless important, contribution to molecular dipole polarizabilities is that which comes from molecular vibration. This contribution, which was formerly called the atomic polarization, may be related to the intensities of the infrared‐active bands. In this paper we have collected the best available intensity data for some hundred or so molecules and evaluated their vibrational polarizabilities. We have also given estimates of the probable errors of the final numbers.
11(1982); http://dx.doi.org/10.1063/1.555659View Description Hide Description
This is a revision of the compilation of energy levels of iron for all ionization stages made in 1975 by Reader and Sugar. New material has since been proived for all but two of these ions. The present compilation includes electron configurations, energy levels, term designations, calculated leading percentages for most ions, experimental g‐values, and ionization energies.