These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Search MEDLINE/PubMed

  • Title: Second virial coefficient properties of the n-m Lennard-Jones/Mie potential.
    Author: Sadus RJ.
    Journal: J Chem Phys; 2018 Aug 21; 149(7):074504. PubMed ID: 30134705.
    Abstract:
    The second virial coefficient (B), Boyle temperature (TB ), and temperature maximum (Tmax ) are determined for the n-m Lennard-Jones/Mie (LJ/M) potential. The full range of n, m behavior is investigated between the 5-4 LJ/M, hard sphere (n = ∞) + attractive (m ≥ 4) term (HSAm), and hard sphere potential limits. The (n = m + 1)-m LJ/M potential has an important role in characterising the overall behavior of second virial coefficient properties. Different TB , Tmax behavior is observed for n(constant)-m LJ/M and n-m(constant) LJ/M potentials. In the former case, there are two distinct linear (5 ≤ n ≤ 30) and non-linear regions (n > 30). In the latter case, there is a minimum in Tmax in two distinct non-linear regions (4 ≤ m ≤ 34 and 35 ≤ m ≤ 150) followed by a maximum TB region (m ≥ 151). Analytical relationships for some of the behavior are determined and numerical values of TB for a range of n and m values are reported. Molecular simulation data are used to determine simple relationships between TB and both the critical temperature and triple point temperature for the special case of the n-6 LJ/M potential.
    [Abstract] [Full Text] [Related] [New Search]