modified Benedict–Webb–Rubin — Lennard-Jones 12/6

This noncubic EOS describes the behaviour of the Lennard-Jones 12/6 fluid. It has been fitted to computer simulation data. The first version of this EOS, mBWR1-LJ (also known as Nicolas EOS), was published in 1979 [1]. In 1993 Johnson et al. published an improved version with the same structure, but a new set of coefficients fitted to a more extensive and accurate set of computer simulation data (see mBWR2-nLJ). Therefore mBWR1-LJ is obsolete; it is kept here for reference purposes only.

Users looking for LJ equations of state should also consider some other recent equations, namely those of Kolafa and Nezbeda, Quiñones-Cisneros or Mecke et al..

The critical compression factor of the mBWR1-LJ EOSs is fixed. It is not possible for it to match all 3 critical conditions.

adjustable parameters: 2
The ThermoC parameters are T* = ε/kB and v* = NAσ3.

[1] J. J. Nicolas, K. E. Gubbins, W. B. Streett, and D. J. Tildesley, Mol. Phys. 37 (1979) 1429–1454.

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