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Theoretical and analytical Radial Distribution Function for non-polar mixtures

Author

Listed:
  • Zhao, Yueqiang
  • Wu, Zhengming
  • Liu, Weiwei

Abstract

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 dii, mean calibration factor of volume βV and mean free path of relative motion λr,ij) 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.

Suggested Citation

  • Zhao, Yueqiang & Wu, Zhengming & Liu, Weiwei, 2011. "Theoretical and analytical Radial Distribution Function for non-polar mixtures," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 390(15), pages 2812-2818.
    • Handle: RePEc:eee:phsmap:v:390:y:2011:i:15:p:2812-2818
    DOI: 10.1016/j.physa.2011.03.027
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