Simultaneous prediction of phase behaviour and second derivative properties with a group contribution approach (SAFT-γ Mie)

摘要

We present a new group contribution approach, the SAFT-γ Mie method based on an intermolecular potential of variable attractive and repulsive range. The method employs a more realistic intermolecular potential compared to the previously proposed SAFT-γ method (SAFT-γ SW), where interactions are modelled based on the square-well (SW) potential. SAFT-γ Mie is shown to lead to a marked improvement in the prediction of the phase behaviour and the second-order derivative properties of the chemical family of the n-alkanes.