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Table 9.2 Table 11.1 Table 12.1

Table 12.2

Table 12.3

Vibrational frequencies and corresponding vibrational temperatures, together with rotational and electronic temperatures, are shown for some diatomic molecules [2] Some symmetry numbers of molecules Numbers of degrees of freedom (dof) of different types for linear and nonlinear molecules in the harmonic approximation Vibrational contributions to the specific heat of the ideal molecular gases CO2 , H2 O and NH3 at 300 K [3] Measured heat capacity CP per mol at 25◦ C for pure substances at 1 atmosphere [3,2] Temperature dependence of the heat capacity CP per mol at 1 atm in J/Kmol for three gases Lennard-Jones parameters for pure liquids [5] Comparison of experimental and theoretical critical parameters of the Lennard-Jones fluid in reduced units Critical parameters in reduced units (ε = σ = 1) for two quantized GvdW equations of state compared with experiment [13,14] Trouton’s rule illustrated for a few fluids [15,16] Thermodynamic properties of an Ar/Kr mixture at T = 115.8 K and P = 0 are compared. The results denoted MC are obtained by Monte Carlo simulation. Subindex c indicates configurational part Thermodynamic excess properties are compared at P = 0 The density difference nl − ng in reduced units, η(x) = nl (x)σ 3 − ng (x)σ 3 with x = 1 − T /Tc , is listed, together with its square η2 (x), for the Lennard-Jones fluid in the GvdW(S) theory Lennard-Jones parameters, critical temperature and surface tension at stated temperatures as measured (Exp) or predicted the GvdW(S) theory with a stepfunction density and local (γE ) or nonlocal (γA ) entropy [5–12] A comparison is shown of compressibilities P /P (ideal) at coupling strengths in the range 0 < ≤ 100 for the OCP obtained by our three derived equations of state SCL (strong coupling limit), DH and DHH with the results of Monte Carlo simulations The best fitted mean ionic diameters, obtained by fitting the mean ionic activity, as well as osmotic coefficients calculated by the CDH-GvdW(HS-B2) theory, are given along with the concentration range in which the best fit was obtained. The Pauling type diameter is obtained from the corresponding crystal structures. In the last column, ion size ratios are given [2] The best fitted diameters and the applicability ranges (maximal concentration) of the Corrected Debye–Hückel theory combined with generalized van der Waals interpolated (CDH-GvdW(I)) and Carnahan–Starling (CDH-CS) equations of state for a number of salt solutions are compared. The decrease in the dielectric constant at increasing electrolyte concentration was obtained by using Eq. (12.24) Proton interaction energy for different oxide surfaces

xvii

22 23 24 25 26 27 38 82 97 98

120 122

150

152

213

235

241 255