• K P Shukla

      Articles written in Pramana – Journal of Physics

    • Thermodynamic perturbation theory for the (12-6-n) fluids

      K P Shukla

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      A perturbation method in which attractive forces are taken as perturbation of the repulsive (reference) forces is applied to calculate the thermodynamic properties of (12-6-n) fluids in terms of the properties of hard-sphere fluid. The numerical values of the thermodynamic properties (free energy per particle, compressibility and excess internal energy) for a range of temperature and density are given for (12-6-8) fluids. Further, two perturbation schemes are adopted to evaluate the total radial distribution function using the EXP version of the optimized cluster theory (OCT). The numerical results are reliable as reported at two states (T* = 1·036,ρ* = 0·65 andT* = 0·719ρ* = 0·85) for the (12-6-8) fluid and the Lennard-Jones (12-6) fluid as well.

    • Second virial coefficient for a mixture of nonspherical molecules of arbitrary symmetry

      S Singh K P Shukla

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      The mixture and interaction second virial coefficients of a binary gas mixture of nonspherical molecules of arbitrary symmetry have been calculated for a set of unlike force parameters which is obtained from the force parameters for like interactions by using empirical combination rules. In the calculation molecular anisotropy of very general type has been accounted. The relative contribution of each branch of interactions has been evaluated as a function of temperature. The theoretical values of interaction second virial coefficient have been compared with the experimental data of N2+A, N2+He, N2+H2, N2+O2, N2+C2H4, N2+C2H6, CO2+A, CO2+H2, CO2+N2, CO2+O2, CO2+CO, CO2+C2H4, CO2+C2H6, O2+A and H2+CO. The agreement between theory and experiment is satisfactory for all the systems. Numerical estimations of the mixture second virial coefficients as a function of temperature and composition are given for the systems CO2+A, CO2+H2, CO2+N2, CO2+O2 and CO2+CO.

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