• 𝑛th-Nearest neighbour distribution functions of a binary fluid mixture

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      https://www.ias.ac.in/article/fulltext/jcsc/121/05/0929-0934

    • Keywords

       

      Nearest neighbour distribution; binary mixture.

    • Abstract

       

      For obtaining microscopic structural information in binary mixtures, often partial pair correlation functions are used. In the present study, a general approach is presented for obtaining the neighbourhood structural information for binary mixtures in terms of nth nearest neighbour distribution (NND) functions (for $n = 1, 2, 3,\ldots$). These functions are derived from the partial pair correlation functions in a hierarchical manner, based on the approach adopted earlier by us for single component fluids. Comparison of the results with MD simulation for Lennard-Jones binary mixtures is also presented. NND functions show reasonable matching for smaller n values particularly at higher density. The average 𝑛th nearest neighbour distance shows interesting feature.

    • Author Affiliations

       

      P Sur1 B Bhattacharjee2

      1. Department of Chemistry, University of Kalyani, Kalyani, Nadia 741 235
      2. Physical Chemistry Section, Department of Chemistry, Jadavpur University, Kolkata 700 032
    • Dates

       
  • Journal of Chemical Sciences | News

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