Equation of state for the Mie (<i>λ</i>r,6) fluid with a repulsive exponent from 11 to 13
Sven Pohl, Robin Fingerhut, Monika Thol, Jadran Vrabec, Roland Span
Abstract
An empirical multi-parameter equation of state in terms of the reduced Helmholtz energy is presented for the Mie (λr-6) fluid with a repulsive exponent λr from 11 to 13. The equation is fitted to an extensive dataset from molecular dynamics simulation as well as the second and third thermal virial coefficients. It is comprehensively compared with the SAFT-VR model and is a more accurate description of the considered fluid class. The equation is valid for reduced temperatures T/Tc from 0.55 to 4.5 and for reduced pressures of up to p/pc = 265. A good extrapolation behavior and the occurrence of a single Maxwell loop down to the vicinity of the triple point temperature are realized.