Moreover, simulations of binary mixture adsorption were performed for VC/N2, PCE/N2, and TCE/N2 mixtures, assuming the same fugacity range for the CEs and fixing the fugacity of N2 to 101.325 kPa (T = 298 K). The number of equilibration and production steps was doubled in simulations of mixture adsorption. In all GCMC simulations, the probabilities of different types of MC moves were set to 2 : 1 : 1 : 0.1 for exchange (insertion/deletion) : translation : rotation : regrowth moves, and the amplitudes of translation and rotation moves were rescaled to arrive at an acceptance probability of 0.5. To generate snapshots for adsorption simulations, MC simulations in the canonical ensemble (NVT) were performed for relevant loadings of the guest molecules of interest, using otherwise analogous settings as in the GCMC simulations.