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Analytical expressions are derived and a computational algorithm and program for calculating distribution functions of rigid spheres g ij (r) necessary for calculations of the thermodynamic parameters of a binary fluid mixture are developed in the context of perturbation theory using the procedure based on the inversion of the Laplace transform for functions rg ij (r) obtained from the Percus-Yevick equation.

The thermodynamic parameters of the two-component mixture of hydrogen atoms and molecules are calculated on the basis of perturbation theory with the use of the basic system of hard spheres. To eliminate the nonadditivity of hard sphere diameters and to obtain the best agreement of the calculated thermodynamic parameters with the Monte Carlo data, different schemes of subdivision of the interaction potential of hydrogen atoms and molecules into the basic and perturbing components are investigated.

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