As CH 4 is not a polar molecule, no Coulombic interactions will be considered. In addition, the non-polarity also means that no polar set of PC-SAFT parameters were developed for CH 4 . Therefore, CH 4 is described with the 'PC-SAFT Non-polar' set of parameters throughout the manuscript . As N 2 and CO 2 can both have some polarity effects, through a quadrupole moment, the inclusion or not of Coulombic interactions and the choice of PC-SAFT parameters will be studied by comparing the MARD (as defined in the manuscript by Eq. 2) for adsorption isotherms and enthalpy of adsorption, the runtime to get these values, and the number of times the solvers fail. This study is performed on 100 MOFs randomly selected in the database, with the 100 MOFs being the same for N 2 and CO 2 . The results are shown in Fig. .