Second virial coefficient properties of the - Lennard-Jones/Mie potential.

The second virial coefficient (), Boyle temperature ( ), and temperature maximum ( ) are determined for the Lennard-Jones/Mie (LJ/M) potential. The full range of , behavior is investigated between the 5-4 LJ/M, hard sphere ( = ∞) + attractive ( ≥ 4) term (HSA), and hard sphere potential limits. The ( = + 1)- LJ/M potential has an important role in characterising the overall behavior of second virial coefficient properties. Different , behavior is observed for (constant)- LJ/M and -(constant) LJ/M potentials. In the former case, there are two distinct linear (5 ≤ ≤ 30) and non-linear regions ( > 30). In the latter case, there is a minimum in in two distinct non-linear regions (4 ≤ ≤ 34 and 35 ≤ ≤ 150) followed by a maximum region ( ≥ 151). Analytical relationships for some of the behavior are determined and numerical values of for a range of and values are reported. Molecular simulation data are used to determine simple relationships between and both the critical temperature and triple point temperature for the special case of the -6 LJ/M potential.