Theoretical and analytical Radial Distribution Function for non-polar mixtures

The theoretical and analytical Radial Distribution Function (RDF) for non-polar mixtures is presented, and the estimation methods of model parameters (such as the minimum molecular diameter d i i , mean calibration factor of volume β V and mean free path of relative motion λ r , i j ) are discussed. The calculated thermodynamic properties for He–H2 fluid mixtures by this RDF fit well with that of MC simulations and classical results from the Yukawa-type EOS, in which the Double Yukawa (DY) potential was used and the quantum effect was considered. Compared with the semi-empirical RDF expressions in references, the advantage of this theoretical and analytical RDF is that it can be used for all kinds of potential functions of non-polar molecules, and it covers a very wide range of temperatures and densities. The extensive practical application of this RDF for chemistry, physics and technology needs further investigation.