Viscosity and pVT–Second Virial Coefficient of Binary Noble–Globular Gas and Globular–Globular Gas Mixtures Calculated by Means of an Isotropic Temperature-Dependent Potential

Abstract

This work presents results of an extension of our earlier studies of the transport and equilibrium properties of pure heavy globular gases. It demonstrates a simple and reliable procedure for estimating the equilibrium and transport properties of their mixtures using the pure gas potentials of interaction when there are no available experimental data. Here we consider binary gas mixtures of globular gases between themselves and with the noble gases as well. The gases involved are: BF3, CH4, CF4, SiF4, SiCl4, CCl4, SF6, MoF6, WF6, UF6, C(CH3)4, Si(CH3)4, Ar, Kr, and Xe. The calculations were performed by means of the so called isotropic temperature–dependent potential (ITDP) introduced by us earlier and applied to some binary mixtures (CH4–CF4, CH4–SF6, CF4–SF6). The CH4–CH4 and noble gases potentials of interactions have been determined in a (n−6) Lennard-Jones shape in the temperature range 200–1000 K by fitting a large number of viscosity and pVT–second virial coefficient data measured by different authors with different experimental techniques. The ITDP parameters of molecular gases were taken from the tables we have determined and published earlier [L. Zarkova and U. Hohm, J. Phys. Chem. Ref. Data 31, 183 (2002)]. Simple combination rules allow us to take into account the influence of the temperature on the thermophysical properties of the binary gas mixtures containing heavy globular molecules. Tables with potential parameters of equal and unequal particles and properties of the equimolar mixtures are given for all mixtures in the temperature range 200–900 (1000) K. The deviations between experimental and calculated viscosity and second virial coefficient data of some more examined mixtures permit to evaluate the quality of the proposed approach.

Viscosity of Lennard–Jones fluid: Integral equation method

“…Next, we used the pure substance parameters and also the following mixing rules [35] The energy and size parameters are 12 /k B = 223.423 K and σ 12 /10 −8 cm = 3.842. to compute the viscosity of the mentioned mixtures in Tables 3-5. Tables 6-8 compare the obtained results with the available data [37]. The energy and size parameters are 12 /k B = 131.716 K and σ 12 /10 −8 cm = 3.562.…”

“…In Tables 3-5, we calculated the viscosity of LJ binary mixtures for methane + Ar, methane + Kr, and methane + Xe mixtures and compared them with the available results [37]. The parameters, ij and σ ij , of the mixtures taken from Tables 3-5 have been determined by Zarkova et al [36].…”

“…For example, we also plotted and compared viscosity values obtained from the MSA with the experimental data [37] for methane + Ar mixture in Fig. 5.…”

New insights into collision-induced rototranslational absorption and scattering spectra of gaseous methane at different temperatures

“…The intermolecular potential we provide here is obtained through the analysis of the second and third pressure virial coefficients [33][34][35][36][37][38][39][40][41][42] and set of gaseous transport properties [37,[43][44][45][46][47][48][49][50][51][52][53][54][55][56][57][58][59][60][61][62].…”

“…viscosity (g), thermal conductivity (k), self diffusion coefficient (D) and isotopic thermal factor (Iso) at different temperatures of CH 4 which are deduced using the formulas of Monchik et al [77] and compared with the accurate experimental results of Boushehri et al [37], Prasad et al [47], Hanley et al [48], Assael et al [49], Hellemans [50], Ketsin et al [51], Hurly et al [52], Zarkova et al [53,54], May et al [55] and Uribe et al [56]. The agreement is excellent in the whole temperature range shown in Fig.…”