To describe the solvent-solvent and the solvent-framework interactions, the 12-6 Lennard-Jones potential with Lorentz-Berthelot mixing rules was used. A 12 Å cut-off radius was implemented, after 120 which long-range corrections were applied. Electrostatic contributions were calculated using Ewald summation with the same cut-off distance for real-space interactions. To generate a TMMC free energy bias function across the full range of solvent molecules, simulations in the μVT ensemble were performed with the number of solvent molecules constrained to a specific "window". The resulting transition matrices were then combined by summation. This procedure was repeated twice to smooth out any discontinuities in the bias function, totalling three sweeps across the full range of solvent molecules. In the first sweep, windows of length 𝑚𝑎𝑥(6, 𝑁 𝑚𝑎𝑥 /40) were used (where Nmax is the maximum number of solvent molecules per unit cell, as defined during simulation setup), with 1 million GCMC moves attempted per window. In the second sweep, windows of length 𝑚𝑎𝑥(10, 𝑁 𝑚𝑎𝑥 /10) were used with 10 million GCMC moves attempted per window. In the final 130 sweep, no window constraints were used with a total of 10 million GCMC moves attempted. Unless stated otherwise, simulations were performed at 298 K and the phase coexistence pressure of the relevant solvent.