1. 1 Calculation of Radial Distribution Function (g(r)) by Molecular Dynamic

2. 2 Molecular dynamics (MD) is a computer simulation of physical movements of atoms and molecules in the context of N-body simulation.

3. 3 Radial Distribution (pair correlation) Functions (RDF) Are the primary linkage between macroscopic thermodynamic properties and intermolecular interactions of fluids and fluid mixtures.

4. 4 The Kronecker delta The set of number of molecules The total potential energy of the system The configurational integral

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11. 11 The radial distribution function g ( r, ρ, T ) of a pure fluid must satisfy the following asymptotic relations.

12. 12 adjustable parameters

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