A. Collision-Induced Light Scattering in Helium Gas B. Second Dielectric Virial Coefficient of Helium Gas C. Rovibrational Spectra of Weakly Bound Complexes: He-CO and He-HF D. Excess Second Virial Coefficients for He-CO

Estimation of second virial coefficients for rare gases in thermodynamic views

Using the Gaussian 2003 software and MP2/ 6–311 ++ G** method for He: He, Ne:Ne andMP2/6-31G method for Ar: Ar, Kr: Kr and HF/STO-3G method for Xe: Xe, the optimizedinteraction energies between two like atoms of rare gases (He, Ne, Ar, Kr and Xe) as a functionof the distances between the centers of two considered atoms were evaluated and the resultswere interpreted according to the Lennard – Jo...

Ab initio collision-induced polarizability, polarized and depolarized Raman spectra, and second dielectric virial coefficient of the helium diatom

Determination of the Second Virial Coefficient for Binary Mixtures of Ar with CH4 and CO using Van der Waals and Dieterici Models

In this paper, we calculate the second virial coefficient for binary mixtures of Ar with CH4 and CO in order to evaluate the performance of equations of state (EOSs). The investigated EOSs are van der Waals (vdW), Redlich-Kwong (RK), Peng-Robinson (PR), Carnahan-Starling–van der Waals (CS-vdW) and Guggenheim-van der Waals (G-vdW) based on van der Waals model. In our work, we also use Dieterici ...

MODIFIED NUMERICAL TABLES FOR THE CALCULATION OF NON-SPHERICAL CONTRIBUTION TO SECOND VIRIAL COEFFICIENTS AND THE CORRELATION EQUATIONS OF STATE FOR CO,, CS, AND C6H6

A revised analysis of the effect of long-range nonspherical terms in the intermolecular potential on the second virial coefficient is presented with a preferred Hartree-Fock-Dispersion functional (HFD-C) spherical core treatment of the integrations for small intermolecular distances. A set of modified numerical tables for the accurate calculation of the nonspherical contribution to the sec...

Multiproperty empirical isotropic interatomic potentials for CH4–inert gas mixtures

An approximate empirical isotropic interatomic potentials for CH4-inert gas mixtures are developed by simultaneously fitting the Exponential-Spline-Morse-Spline-van der Waals (ESMSV) potential form to viscosity, thermal conductivity, thermal diffusion factors, diffusion coefficient, interaction second pressure virial coefficient and scattering cross-section data. Quantum mechanical lineshapes o...