CALCULATION OF THE TRANSPORT PROPERTIES OF GASEOUS MIXTURES OF CF₄ WITH O₂, N₂, CH₄ AND CO₂ AT LOW DENSITY USING SEMI-EMPIRICAL INVERSION METHOD

Abstract

Viscosity and diffusion coefficients for four equimolar binary gaseous mixtures of CF 4 with O 2, N 2, CH 4 and CO 2 are determined from the extended principle of corresponding states by the inversion technique. The Lennard–Jones 12-6 (LJ 12-6) potential energy function is used as the initial model potential required by the technique. The interaction potential energies from the inversion procedure reproduce viscosity within 1% and diffusion coefficients within 5%.

Determination of a potential energy function for nitrogen trifluoride by inversion of the new reduced viscosity collision integrals at zero density

“…We then generate the approximate value of K g from Eq. (13) and compare it with the observed value of K g obtained from Eq. (12).…”

“…Of particular interest is the development of an inversion technique for bulk properties [5][6][7][8][9][10][11][12][13][14][15], which are readily available for a wide variety of substances. The inversion scheme is an important method for generating the intermolecular potentials from the bulk properties and their ESC correlation [26].…”

“…Previously, we have performed the INVERSION technique to other molecules and its details are given elsewhere [13]. The method is very compact and requires a minimum of storage space.…”

“…Making an initial guess at the potential well depth that denotes it by e 0 , the initial estimates of data points (X (2,2)* , T * ) and (f g , T * ) may be obtained at two temperatures, T 1 and T 2 , by applying Eqs. (13) and (7) and Table 3. As a first approximation to e/k B we may use the value calculated from the critical temperature [34] as e 0 /k B = 0.77T c where T c is the critical temperature.…”

“…For the noble gases, which have spherically symmetric interactions, inversion of transport properties data is directly related to the pair interaction potential u(r). For near-spherical and non-spherical molecules [7][8][9][10][11][12][13][14][15] inversion of transport properties gives an effective spherical potential u eff (r) related to, but different from, the true pair-potential u(r, x) which depends on the intermolecular orientation, x. These effective potentials are determined and widely used in both statistical mechanics [16,17] and chemical engineering calculations [18][19][20].…”