the virial coefficients can be obtained from statistical mechanics in connection with the intermolecular potentials. the intermolecular potential of polyatomic molecules is usually assumed to consist of a spherically symmetric component plus a contribution due to asphericaity of the molecular charge distribution. in this study, the second virial coefficients have been calculated for n2, co and ...

Articles you may be interested in Meso-level simulation of gas hydrate dissociation inlow-permeability sediments Theor. Dissociation pressures of some gas hydrates have been evaluated using the Lennard-Jones 12-6 28-7 and Kihara potentials in the Lennard-Jones-Devonshire cell model. The Lennard-Jones 28-7 pot~ntial 'gives the least satisfactory results. The Lennard-Jones 12-6 potential works sa...

using the gaussian 2003 software and mp2 /6 – 311+ g method for the c2h4 : o2, co:cl2 andco2:co2 pairs and mp2/6-311++g** method for the co2:h2o pair and b3lyp/6-31g methodfor the o2:o2 pair the optimized interaction energies between two considered pair molecules ofstudied gases(c2h4:o2, co:cl2, co2:h2o, o2:o2 and co2:co2 pairs) as a function of thedistances between the centers of two considere...

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...

The virial coefficients can be obtained from statistical mechanics in connection with the intermolecular potentials. The intermolecular potential of polyatomic molecules is usually assumed to consist of a spherically symmetric component plus a contribution due to asphericaity of the molecular charge distribution. In this study, the second virial coefficients have been calculated for N2...

In this study, a temperature-dependent of the dispersion coefficients is calculated from equation state.The Lennard-Jones LJ (12-6-3) effective pair potential function and simple thermodynamic argumentwith the input PVT data of liquid metals are used to calculate the dispersion coefficients. The dispersioncoefficients ( , , ) 3 6 12 C C C are found to be a linear function of 1/T1+α , where T is...

The pressure-induced frequency shift of the CH4 and N2 bands is interpreted by quantitatively attributing to attractive repulsive solvation mean-force variation using Lennard–Jones 6-12 potential perturbed hard-sphere fluid model.

in this study, a temperature-dependent of the dispersion coefficients is calculated from equation state.the lennard-jones lj (12-6-3) effective pair potential function and simple thermodynamic argumentwith the input pvt data of liquid metals are used to calculate the dispersion coefficients. the dispersioncoefficients ( , , ) 3 6 12 c c c are found to be a linear function of 1/t1+α , where t is...

An analytical equation of state was applied to calculate the thermodynamic properties for argon.The equation of state is that of Song and Mason. It is based on a statistical-mechanical perturbationtheory of the hard convex bodies and can be written as fifth-order polynomial in the density. Thereexist three temperature-dependent parameters: the second virial coefficient, an effective molecularvo...

Let F be a finite group with a Sylow 2-subgroup S that is normal and abelian. Using hyperelementary induction and cartesian squares, we prove that Cappell’s unitary nilpotent groups UNil∗(Z[F ];Z[F ],Z[F ]) have an induced isomorphism to the quotient of UNil∗(Z[S];Z[S],Z[S]) by the action of the group F/S. In particular, any finite group F of odd order has the same UNil-groups as the trivial gr...