where ε ij and σ ij are the Lennard-Jones energy and size parameter for the interaction between molecule pairs belonging to components i and j, and r kl ij denotes the distance between molecules k and l. The interaction parameters if i = j σ i and ε i are provided in Table . The parameters for the interaction between different components were determined with the Lorentz-Berthelot combining rules unless stated otherwise: σ ij = 0.5 (σ i + σ j ) and ε ij = √ ε i ε j . Furthermore, the potential was explicitly evaluated up to a cutoff radius r cut = 2.5 • max(σ 1 , σ 2 ), and analytic tail corrections were applied to pressure and energy terms. Small time step sizes ∆t were chosen to integrate Newton's equations of motion 79 (Table ).